forked from lijiext/lammps
31 lines
503 B
Plaintext
31 lines
503 B
Plaintext
bkgd_dyn = 1
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emb_lin_neg = 1
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augt1=0
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ialloy=1
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rc = 5.9
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#H
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attrac(1,1)=0.460
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repuls(1,1)=0.460
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Cmin(1,1,1)=1.3 # PuMS
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Cmax(1,1,1)= 2.80
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nn2(1,1)=1
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#Ga
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rho0(2) = 0.6
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attrac(2,2)=0.097
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repuls(2,2)=0.097
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nn2(2,2)=1
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#HGa
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attrac(1,2)=0.300
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repuls(1,2)=0.300
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lattce(1,2)=l12
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re(1,2)=3.19
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delta(1,2)=-0.48
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alpha(1,2)=6.6
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Cmin(1,1,2)=2.0
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Cmin(2,1,2)= 2.0
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Cmin(1,2,1)=2.0
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Cmin(2,2,1) = 1.4
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Cmin(1,2,2) = 1.4
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Cmin(1,1,2) = 1.4
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nn2(1,2)=1
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