&general
PREFIX = GG_cell0_anharm
MODE = fitting
NAT = 46; NKD = 2
KD = Ga Ge
/

&interaction
NORDER = 2
/

&cell
 20.7
  1.0 0.0 0.0
  0.0 1.0 0.0
  0.0 0.0 1.0
/

&cutoff
Ga-Ga None 4.7
Ga-Ge None 4.81
Ge-Ge None 4.9
/

&fitting
#NDATA = 12
#DFILE = disp_harm_wo_Ba_0.02.dat
#FFILE = force_harm_wo_Ba_0.02.dat
NDATA = 84
DFILE = disp_wo_Ba_total.disp_au
FFILE = disp_wo_Ba_total.force_au
FC2XML = GG_cell0_harm0.02.xml
/

&position
1   0.1857246667577519  0.1857246667577519  0.1857246667577519
1   0.8142753332422481  0.8142753332422481  0.1857246667577519
1   0.8142753332422481  0.1857246667577519  0.8142753332422481
1   0.1857246667577519  0.8142753332422481  0.8142753332422481
1   0.6857246667577519  0.6857246667577519  0.3142753332422482
1   0.3142753332422482  0.3142753332422482  0.3142753332422482
1   0.6857246667577519  0.3142753332422482  0.6857246667577519
1   0.3142753332422482  0.6857246667577519  0.6857246667577519
1   0.8142753332422481  0.8142753332422481  0.8142753332422481
1   0.1857246667577519  0.1857246667577519  0.8142753332422481
1   0.1857246667577519  0.8142753332422481  0.1857246667577519
1   0.8142753332422481  0.1857246667577519  0.1857246667577519
1   0.3142753332422482  0.3142753332422482  0.6857246667577519
1   0.6857246667577519  0.6857246667577519  0.6857246667577519
1   0.3142753332422482  0.6857246667577519  0.3142753332422482
1   0.6857246667577519  0.3142753332422482  0.3142753332422482
2   0.2500000000000000  0.0000000000000000  0.5000000000000000
2   0.7500000000000000  0.0000000000000000  0.5000000000000000
2   0.5000000000000000  0.2500000000000000  0.0000000000000000
2   0.5000000000000000  0.7500000000000000  0.0000000000000000
2   0.0000000000000000  0.5000000000000000  0.2500000000000000
2   0.0000000000000000  0.5000000000000000  0.7500000000000000
2   0.0000000000000000  0.3067974385825479  0.1177654115750615
2   0.0000000000000000  0.6932025614174520  0.1177654115750615
2   0.0000000000000000  0.3067974385825479  0.8822345884249383
2   0.0000000000000000  0.6932025614174520  0.8822345884249383
2   0.1177654115750615  0.0000000000000000  0.3067974385825479
2   0.1177654115750615  0.0000000000000000  0.6932025614174520
2   0.8822345884249383  0.0000000000000000  0.3067974385825479
2   0.8822345884249383  0.0000000000000000  0.6932025614174520
2   0.3067974385825479  0.1177654115750615  0.0000000000000000
2   0.6932025614174520  0.1177654115750615  0.0000000000000000
2   0.3067974385825479  0.8822345884249383  0.0000000000000000
2   0.6932025614174520  0.8822345884249383  0.0000000000000000
2   0.8067974385825480  0.5000000000000000  0.3822345884249385
2   0.1932025614174521  0.5000000000000000  0.3822345884249385
2   0.8067974385825480  0.5000000000000000  0.6177654115750617
2   0.1932025614174521  0.5000000000000000  0.6177654115750617
2   0.5000000000000000  0.6177654115750617  0.1932025614174521
2   0.5000000000000000  0.6177654115750617  0.8067974385825480
2   0.5000000000000000  0.3822345884249385  0.1932025614174521
2   0.5000000000000000  0.3822345884249385  0.8067974385825480
2   0.6177654115750617  0.8067974385825480  0.5000000000000000
2   0.6177654115750617  0.1932025614174521  0.5000000000000000
2   0.3822345884249385  0.8067974385825480  0.5000000000000000
2   0.3822345884249385  0.1932025614174521  0.5000000000000000
/

