&general
PREFIX = BGG_cv4
MODE = lasso
NAT = 54; NKD = 3
KD = Ba Ga Ge
/

&interaction
NORDER = 9
NBODY = 2 3 3 2 2 2 2 2 2 
/

&cell
 20.70
  1.0 0.0 0.0
  0.0 1.0 0.0
  0.0 0.0 1.0
/

&cutoff
Ba-Ba None 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1
Ba-Ga None 8.0 8.0 8.0 8.0 0.1 0.1 0.1 0.1 0.1 0.1
Ba-Ge None 8.32 8.32 8.32 8.32 0.1 0.1 0.1 0.1 0.1 0.1
Ga-Ga None 8.1 8.1 8.1 8.1 4.9 4.9 4.9 4.9 4.9 4.9
Ga-Ge None 8.1 8.1 8.1 8.1 4.9 4.9 4.9 4.9 4.9 4.9
Ge-Ge None 9.0 9.0 9.0 9.0 4.9 4.9 4.9 4.9 4.9 4.9
/

&fitting
NDATA = 140; SKIP = 85-112
DFILE = disp_random_0.dat
FFILE = force_random_0.dat

NDATA_TEST = 140; NSTART_TEST = 85; NEND_TEST = 112

STANDARDIZE = 1
LASSO_ALPHA = 2.0e-5
LASSO_MINALPHA = 3.0e-7; LASSO_MAXALPHA = 0.3
LASSO_NALPHA = 100
LASSO_DNORM = 0.4
LASSO_MAXITER = 1000000
LASSO_CV = -1
LASSO_TOL = 1.0e-7

FC2XML = BGG_cell0_harm.xml
ICONST = 11
/

&position
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1   0.7500000000000000  0.5000000000000000  0.0000000000000000
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3   0.5000000000000000  0.6177654115750617  0.1932025614174521
3   0.5000000000000000  0.6177654115750617  0.8067974385825480
3   0.5000000000000000  0.3822345884249385  0.1932025614174521
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3   0.3822345884249385  0.1932025614174521  0.5000000000000000
/

