element(s):
['Mo', 'U']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6017', '3.0888469', '0.3416131']
model name:
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'U']
representative atom coordinates =  [[0.        0.        0.       ]
 [0.        0.        0.3416131]]
spacegroup =  139
cell =  [[3.6017, 0, 0], [0, 3.6017, 0], [0, 0, 11.1251]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:13:50      -27.709152         2.467394
BFGS:    1 13:13:50      -27.995045         2.274046
BFGS:    2 13:13:50      -28.316304         1.928466
BFGS:    3 13:13:51      -28.542622         1.521529
BFGS:    4 13:13:51      -28.690392         1.067781
BFGS:    5 13:13:51      -28.790053         0.728047
BFGS:    6 13:13:51      -28.871053         1.042637
BFGS:    7 13:13:51      -28.963268         1.372497
BFGS:    8 13:13:51      -29.069229         1.719191
BFGS:    9 13:13:51      -29.286062         1.951637
BFGS:   10 13:13:51      -29.577686         1.841488
BFGS:   11 13:13:51      -29.813374         1.511308
BFGS:   12 13:13:51      -29.996139         1.005966
BFGS:   13 13:13:51      -30.133611         0.945593
BFGS:   14 13:13:51      -30.197704         0.548161
BFGS:   15 13:13:51      -30.224407         0.594008
BFGS:   16 13:13:51      -30.235419         0.679121
BFGS:   17 13:13:51      -30.260927         0.713833
BFGS:   18 13:13:51      -30.281491         0.597607
BFGS:   19 13:13:51      -30.297989         0.380608
BFGS:   20 13:13:51      -30.306921         0.080174
BFGS:   21 13:13:51      -30.307740         0.029825
BFGS:   22 13:13:51      -30.307888         0.002195
BFGS:   23 13:13:51      -30.307889         0.000718
BFGS:   24 13:13:51      -30.307889         0.000008
BFGS:   25 13:13:51      -30.307889         0.000000
BFGS:   26 13:13:52      -30.307889         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.1009257333896574e-09 eV/Angstrom
Maximum stress component: 1.0054297285918707e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.57810287e-33 0.00000000e+00 3.22289383e-01]
 [8.34506950e-34 0.00000000e+00 6.77710617e-01]
 [5.00000000e-01 5.00000000e-01 8.22289383e-01]
 [5.00000000e-01 5.00000000e-01 1.77710617e-01]]
cellpar =  Cell([[3.387131619745818, 5.731729149950717e-35, 4.4742831958627595e-32], [4.950728991870218e-35, 3.387131619745817, 7.935902009676931e-17], [-1.5097913879953496e-32, 2.5780770668223973e-16, 9.75599944015634]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.70373953e-42 -2.90925717e-26 -1.10092573e-09]
 [-5.21870257e-33  2.90925710e-26  1.10092573e-09]
 [ 1.70373953e-42 -2.90925749e-26 -1.10092573e-09]
 [-2.60935129e-33  2.90925743e-26  1.10092573e-09]]
stress =  [-7.00352056e-11 -7.00352056e-11 -1.00542973e-10  1.04041830e-27
  1.86503346e-34  2.47824147e-51]
energy per atom =  -5.051314880066664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0