# Ceramics Forcefield file - metallic oxides only
# Reference 1: GV Lewis and CRA Catlow
# Phys. C. Solid State Phys 18 (1985) 1149-1161.
# Reference 2: TS Bush, JD Gale, CRA Catlow and D. Battle
# J. Mater. Chem. 4 (1994) 831-837.
#LC_a
O_2-       15.9994   22764.3    0.1490     27.88      -2.0
Ca2+       40.0800    1227.7    0.3372       0.0       2.0
Sc2+       44.9559     838.6    0.3372       0.0       2.0
Ti2+       47.8800     633.3    0.3372       0.0       2.0
Va2+       50.9415     557.8    0.3372       0.0       2.0
Cr2+       51.9960     619.8    0.3372       0.0       2.0
Mn2+       54.9380     832.7    0.3372       0.0       2.0
Fe2+       55.8470     725.7    0.3372       0.0       2.0
Co2+       58.9332     684.9    0.3372       0.0       2.0
Ni2+       58.6900     641.2    0.3372       0.0       2.0
Zn2+       65.3900     700.3    0.3372       0.0       2.0
Zr4+       91.2240    1453.8    0.3500       0.0       4.0
Cd2+       112.410     868.3    0.3500       0.0       2.0
Hf4+       178.490    1454.6    0.3500       0.0       4.0
Ce4+       140.120    1017.4    0.3949       0.0       4.0
Eu2+       151.960     665.2    0.3949       0.0       2.0
Tb4+       158.925     905.3    0.3949       0.0       4.0
Th4+       232.038    1144.6    0.3949       0.0       4.0
U_4+       238.029    1055.0    0.3949       0.0       4.0
#LC_b
O_2-       15.9994   22764.3    0.1490     27.88      -2.0
Sc3+       44.9559    1299.4    0.3312       0.0       3.0
Mn3+       54.9380    1257.9    0.3214       0.0       3.0
Y_3+       88.9059    1345.1    0.3491       0.0       3.0
La3+       138.906    1439.7    0.3651       0.0       3.0
Nd3+       144.240    1379.9    0.3601       0.0       3.0
Eu3+       151.960    1358.0    0.3556       0.0       3.0
Gd3+       157.250    1336.8    0.3551       0.0       3.0
Ho3+       164.930    1350.2    0.3487       0.0       3.0
Yb3+       173.040    1309.6    0.3462       0.0       3.0
Lu3+       174.967    1347.1    0.3430       0.0       3.0
Pu3+       244.000    1376.2    0.3593       0.0       3.0
#LC_c1
O_2-       15.9994   22764.3    0.1490     27.88     -2.00
Mg2+       24.3050     821.6    0.3242      0.00      2.00   99999.0     -2.00     15.74
Mg2+_t     24.3050     710.5    0.3242      0.00      2.00   99999.0     -2.00     15.74
Ca2+       40.0800    1228.9    0.3372      0.00      1.26     34.00     -2.82     27.45
Sr2+       87.6200    1400.0    0.3500      0.00      1.33     21.53     -3.51     39.56
Ba2+       137.330     931.7    0.3949      0.00      1.46     14.78     -4.84     70.39
Mn2+       54.9380     715.8    0.3464      0.00      3.00     81.20     -2.30     19.73
Fe2+       55.8470     694.1    0.3399      0.00      2.00     10.92     -2.15     17.75
Fe2+_t     55.8470     599.4    0.3399      0.00      2.00     10.92     -2.15     17.75
Co2+       58.9332     696.3    0.3362      0.00      2.00     10.74     -2.06     16.52
Co2+_t     58.9332     600.9    0.3362      0.00      2.00     10.74     -2.06     16.52
Ni2+       58.6900     685.3    0.3332      0.00      2.00      8.77     -2.00     15.78
Ni2+_t     58.6900     593.9    0.3332      0.00      2.00      8.77     -2.00     15.78
Zn2+       65.3900     499.6    0.3595      0.00      2.05     10.28     -2.00     15.52
Al3+       26.9815    1114.9    0.3118      0.00      3.00   99999.0     -2.21     27.29
Al3+_t     26.9815    1012.6    0.3118      0.00      3.00   99999.0     -2.21     27.29
Ti3+       47.8800    1715.7    0.3069      0.00      1.23     43.97     -2.21     27.29
V_3+       50.9415    1790.2    0.3061      0.00      1.34     36.27     -2.21     27.29
Cr3+       51.9960    1734.1    0.3010      0.00      0.97     67.00     -2.21     27.29
Cr3+_t     51.9960    1526.4    0.3010      0.00      0.97     67.00     -2.21     27.29
Fe3+       55.8470    1102.4    0.3299      0.00      4.97     304.7     -2.21     27.29
Fe3+_t     55.8470     876.6    0.3299      0.00      4.97     304.7     -2.21     27.29
Ge4+       72.5900    1035.5    0.3464      0.00      4.88     371.2     -2.09      61.5
Sn4+       118.710     938.7    0.3813      0.00      3.99     191.5     -3.00     117.8
Ti4+       47.8800     754.2    0.3897      0.00      2.89      37.3     -2.53      86.4
Ce4+       140.120    1013.6    0.3949      0.00      5.85     116.0     -2.67      51.0
U_4+       238.029    1055.5    0.3949      0.00      6.44     129.0     -2.70      51.6
Th4+       232.038    1147.7    0.3949      0.00      7.28     193.1     -2.40      39.0
#LC_c2
O_2-       15.9994   22764.3    0.1490     27.88     -2.00
Mg2+       24.3050    1428.5    0.2945      0.00     1.585     361.6     -3.00     54.77
Ca2+       40.0800    1090.4    0.3437      0.00     3.135     110.2     -3.00     47.96
Sr2+       87.6200     959.1    0.3721      0.00     3.251      71.7     -3.00     44.70
Ba2+       137.330     905.7    0.3976      0.00     9.203     459.2     -3.00     41.79
Mn2+       54.9380    1007.4    0.3262      0.00     3.420      95.0     -3.00     51.92
Fe2+       55.8470    1207.6    0.3084      0.00     2.997      62.9     -3.00     53.53
Co2+       58.9332    1491.7    0.2951      0.00     3.503     110.5     -3.00     54.09
Ni2+       58.6900    1582.5    0.2882      0.00     3.344      93.7     -3.00     55.36
Al3+       26.9815    1474.4    0.3006      0.00     1.458    1732.0     -3.00     60.79
U_4+       238.029    1014.3    0.3976      0.00     5.350     109.7     -3.00     49.50
#GULP
O_2-       15.9994     25.41    0.6937     32.32    -2.513     20.53
Li_+        6.9410   426.480    0.3000      0.00     1.000   99999.0
Na_+       22.9898  1271.504    0.3000      0.00     1.000   99999.0
K__+       39.0983  3587.570    0.3000      0.00     1.000   99999.0
Mg2+       24.3050  2457.243    0.2610      0.00     0.420    349.95
Ca2+       40.0800  2272.741    0.2986      0.00     1.281     34.05
Sr2+       87.6200  1956.702    0.3252      0.00     1.831     21.53
Ba2+       137.330  4818.416    0.3067      0.00     1.831     34.05
Fe3+       55.8470  3219.335    0.2641      0.00     1.029    179.58
Ti4+       47.8800  2088.107    0.2888      0.00     1.678    253.60
Al3+       26.9815  2409.505    0.2649      0.00     2.957    403.98
Ga3+       69.7200  2339.776    0.2742      0.00     3.000   99999.0
Y_3+       88.9059  1519.279    0.3291      0.00     3.000   99999.0
La3+       138.906  5436.827    0.2939      0.00    -2.149    173.90
Pr3+       140.908 13431.118    0.2557      0.00     1.322    302.36
Nd3+       144.240 13084.217    0.2550      0.00     1.322    302.35
Gd3+       157.250   866.339    0.3770      0.00     3.973    299.96
Eu3+       151.960   847.868    0.3791      0.00     3.991    304.92
Tb3+       158.925   845.137    0.3750      0.00     3.972    299.98
Yb3+       173.040   991.029    0.3515      0.00     3.278    308.91
#END
