Table 1 Basic properties of Cu and Si.

ACE

EAM

GTINV

SNAP

DFT

Exp.

C₁₁

177

176

188

176

177

177⁵⁶

C₁₂

132

133

141

143

132

125⁵⁶

C₄₄

82

82

88

88

82

81⁵⁶

(111)

1.36

1.24

7.81

1.29

1.36

–

(100)

1.51

1.35

9.50

1.48

1.51

–

(110)

1.59

1.48

7.82

1.56

1.57

–

E\({}_{{\rm{vac}}}^{{\rm{f}}}\)

1.12

1.28

1.13

1.37

1.07

1.27⁵⁷

E\({}_{{\rm{vac}}}^{{\rm{m}}}\)

0.71

0.69

0.78

0.91

0.74

0.67–0.76⁵⁸

I_db(100)

3.14

3.12

3.25

2.80

3.10⁴⁰

2.8–4.2⁵⁹

I_oct

3.38

3.29

3.48

2.96

3.35⁴⁰

–

I_tetr

3.68

3.63

3.87

3.42

3.64⁴⁰

–

γ_ESF

48

45

−679

29

43

–

γ_ISF

43

45

−1101

29

41

–

\({\gamma }_{{\rm{MAX}}}\)

826

771

1635

1139

826

–

γ_MIDDLE

500

479

510

562

494

–

γ_TWIN

22

22

−628

14

21

–

T_M

1272

1324

–

1372

1251³⁷

1358⁶⁰