107 lines
1.7 KiB
Plaintext
107 lines
1.7 KiB
Plaintext
rc = 4.8
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delr = 0.1
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augt1 = 0
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erose_form = 2
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ialloy = 2
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zbl(1,1) = 0
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nn2(1,1) = 1
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attrac(1,1) = 0.05
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repuls(1,1) = 0.05
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Cmin(1,1,1) = 0.36
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Cmax(1,1,1) = 2.8
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Ec(1,1) = 4.29
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re(1,1) = 2.48
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zbl(2,2) = 0
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nn2(2,2) = 1
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attrac(2,2) = 0
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repuls(2,2) = 0
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Cmin(2,2,2) = 1
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Cmax(2,2,2) = 1.44
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Ec(2,2) = 4.87
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re(2,2) = 2.92
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zbl(3,3) = 0
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nn2(3,3) = 1
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attrac(3,3) = 0
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repuls(3,3) = 0
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Cmin(3,3,3) = 1.41
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Cmax(3,3,3) = 2.8
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Ec(3,3) = 7.37
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re(3,3) = 1.54
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rho0(1) = 1
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rho0(2) = 1
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rho0(3) = 6
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zbl(1,2) = 0
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nn2(1,2) = 1
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Ec(1,2) = 4.8
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re(1,2) = 2.58
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alpha(1,2) = 5.40829351455589
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attrac(1,2) = 0.025
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repuls(1,2) = 0.025
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Cmin(1,1,2) = 1.21
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Cmin(2,2,1) = 0.78
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Cmin(1,2,1) = 0.64
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Cmin(1,2,2) = 0.64
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Cmin(2,1,1) = 0.64
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Cmin(2,1,2) = 0.64
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Cmax(1,1,2) = 2.8
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Cmax(2,2,1) = 2.8
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Cmax(1,2,1) = 2.8
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Cmax(1,2,2) = 2.8
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Cmax(2,1,1) = 2.8
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Cmax(2,1,2) = 2.8
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lattce(1,2) = 'b2'
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zbl(1,3) = 0
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nn2(1,3) = 1
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Ec(1,3) = 4.11
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re(1,3) = 2.364
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alpha(1,3) = 5.80973101300077
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attrac(1,3) = 0.0375
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repuls(1,3) = 0.0375
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Cmin(1,1,3) = 0.36
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Cmin(3,3,1) = 0.16
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Cmin(1,3,1) = 0.16
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Cmin(1,3,3) = 0.16
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Cmin(3,1,1) = 0.16
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Cmin(3,1,3) = 0.16
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Cmax(1,1,3) = 2.8
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Cmax(3,3,1) = 1.44
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Cmax(1,3,1) = 2.8
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Cmax(1,3,3) = 2.8
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Cmax(3,1,1) = 2.8
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Cmax(3,1,3) = 2.8
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lattce(1,3) = 'l12'
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zbl(2,3) = 0
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nn2(2,3) = 1
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Ec(2,3) = 6.9
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re(2,3) = 2.21
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alpha(2,3) = 4.61077143078645
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attrac(2,3) = 0
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repuls(2,3) = 0
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Cmin(2,2,3) = 0.64
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Cmin(3,3,2) = 0.64
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Cmin(2,3,2) = 1.1962171043519
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Cmin(2,3,3) = 1.1962171043519
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Cmin(3,2,2) = 1.1962171043519
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Cmin(3,2,3) = 1.1962171043519
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Cmax(2,2,3) = 1.44
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Cmax(3,3,2) = 2.8
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Cmax(2,3,2) = 2.8
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Cmax(2,3,3) = 2.8
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Cmax(3,2,2) = 2.8
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Cmax(3,2,3) = 2.8
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lattce(2,3) = 'b1'
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Cmax(1,2,3) = 2.06
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Cmax(1,3,2) = 2.80
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Cmax(2,3,1) = 2.80
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Cmin(1,2,3) = 0.49
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Cmin(1,3,2) = 0.56
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Cmin(2,3,1) = 0.56
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