Commit 8936b99e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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add contributed SiC.edip potential file

parent 35e92733
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potentials/SiC.edip

0 → 100644
+38 −0
Original line number Diff line number Diff line
# DATE: 2017-05-16 CONTRIBUTOR: Laurent Pizzagalli CITATION: G. Lucas, M. Bertolus, and L. Pizzagalli, J. Phys. : Condens. Matter 22, 035802 (2010)
#   element 1, element 2, element 3, 
#     A   B   cutoffA   cutoffC   alpha   beta   eta 
#     gamma   lambda    mu   rho   sigma   Q0 
#     u1   u2   u3   u4
#
Si Si Si 5.488043 1.446435 2.941586 2.540193 3.066580 0.008593 0.589390
         1.135256 2.417497 0.629131 1.343679 0.298443 208.924548
         -0.165799 32.557 0.286198 0.66

C C C    10.222599 0.959814 2.212263 1.741598 1.962090 0.025661 0.275605
         1.084183 3.633621 0.594236 2.827634 0.536561 289.305617
         -0.165799 32.557 0.286198 0.66

C Si Si  7.535967 1.177019 2.534972 1.973974 2.507738 0.015347 0.432497
         1.191567 3.025559 0.611684 2.061835 0.423863 249.115082
         -0.165799 32.557000 0.286198 0.660000

Si C C   7.535967 1.177019 2.534972 1.973974 2.507738 0.015347 0.432497
         1.191567 3.025559 0.611684 2.061835 0.423863 249.115082
         -0.165799 32.557000 0.286198 0.660000

Si Si C  5.488043 1.446435 2.941586 2.540193 3.066580 0.008593 0.510944
         1.135256 2.721528 0.620407 1.343679 0.298443 229.019815
         -0.165799 32.557000 0.286198 0.660000

Si C Si  7.535967 1.177019 2.534972 1.973974 2.507738 0.015347 0.510944
         1.191567 2.721528 0.620407 2.061835 0.423863 229.019815
         -0.165799 32.557000 0.286198 0.660000

C C Si   10.222599 0.959814 2.212263 1.741598 1.962090 0.025661 0.354051
         1.084183 3.329590 0.602960 2.827634 0.536561 269.210350
         -0.165799 32.557000 0.286198 0.660000

C Si C   7.535967 1.177019 2.534972 1.973974 2.507738 0.015347 0.354051
         1.191567 3.329590 0.602960 2.061835 0.423863 269.210350
         -0.165799 32.557000 0.286198 0.660000