用于LAMMPS的SiN的tersoff势函数编写

最近在网上一直找不到SiN的tersoff势函数，所以按照LAMMPS的书写方式写了一个，把它贴上来给大家参考一下。上面关于N的势函数中的B设为0是因为文章中把N之间的吸引力设为0了默认只有排斥力。如有不对的请大家指教一下！

# Parameters for the Tersoff SiN potential. CITATION: Structural and electronic properties of silicon nitride materials
# Values are in LAMMPS "metal" units.

# e1 e2 e3 m    gamma   lambda3   c       d        costheta0    n         beta     lambda2  B      R      D     lambda1  A
N	N	N	3	1	0	20312.0 	25.5103	-0.56239	1.33041	5.2938E-03	2.7	0	1.95	0.15	5.43673	6368.14
Si	Si	Si	3	1	0	100390.0 	16.217	-0.59825	0.78734	1.1000E-06	1.7322	471.18	2.85	0.15	2.4799	1830.8

N	Si	Si	3	1	0	20312.0 	25.5103	-0.56239	1.33041	5.2938E-03	2.2161	319.1831448	2.357260424	0.152719656	3.958315	3414.497139
N	Si	N	3	1	0	20312.0 	25.5103	-0.56239	1.33041	0	0	0	1.95	0.15	0	0
N	N	Si	3	1	0	20312.0 	25.5103	-0.56239	1.33041	0	0	0	2.357260424	0.152719656	0	0

Si	N	N	3	1	0	100390.0 	16.217	-0.59825	0.78734	1.1000E-06	2.2161	319.1831448	2.357260424	0.152719656	3.958315	3414.497139
Si	Si	N	3	1	0	100390.0 	16.217	-0.59825	0.78734	0	0	0	2.357260424	0.152719656	0	0
Si	N	Si	3	1	0	100390.0 	16.217	-0.59825	0.78734	0	0	0	2.85	0.15	0	0