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 13:47:49      -27.709152        2.4674
BFGS:    1 13:47:49      -27.995045        2.2740
BFGS:    2 13:47:49      -28.316304        1.9285
BFGS:    3 13:47:49      -28.542622        1.5215
BFGS:    4 13:47:49      -28.690392        1.0678
BFGS:    5 13:47:49      -28.790053        0.7280
BFGS:    6 13:47:49      -28.871053        1.0426
BFGS:    7 13:47:49      -28.963268        1.3725
BFGS:    8 13:47:49      -29.069229        1.7192
BFGS:    9 13:47:49      -29.286062        1.9516
BFGS:   10 13:47:49      -29.577686        1.8415
BFGS:   11 13:47:49      -29.813374        1.5113
BFGS:   12 13:47:49      -29.996139        1.0060
BFGS:   13 13:47:50      -30.133611        0.9456
BFGS:   14 13:47:50      -30.197704        0.5482
BFGS:   15 13:47:50      -30.224407        0.5940
BFGS:   16 13:47:50      -30.235419        0.6791
BFGS:   17 13:47:50      -30.260927        0.7138
BFGS:   18 13:47:50      -30.281491        0.5976
BFGS:   19 13:47:50      -30.297989        0.3806
BFGS:   20 13:47:50      -30.306921        0.0802
BFGS:   21 13:47:50      -30.307740        0.0298
BFGS:   22 13:47:50      -30.307888        0.0022
BFGS:   23 13:47:50      -30.307889        0.0007
BFGS:   24 13:47:50      -30.307889        0.0000
BFGS:   25 13:47:50      -30.307889        0.0000
BFGS:   26 13:47:50      -30.307889        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.1009296564667983e-09 eV/Angstrom
Maximum stress component: 1.0054307614229525e-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]
 [3.52930424e-34 1.45562122e-32 3.22289383e-01]
 [4.90416243e-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([[3.387131619745816, -1.5721882147540578e-35, -1.0138022932724998e-31], [-3.8469106583084315e-35, 3.387131619745817, 7.446283177509725e-17], [-2.2677619790766775e-33, 2.2654207361911683e-16, 9.755999440156343]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.55908831e-43 -2.55644526e-26 -1.10092966e-09]
 [-1.04374051e-32  2.55644569e-26  1.10092966e-09]
 [-5.21870257e-33 -2.55644539e-26 -1.10092966e-09]
 [-5.21870257e-33  2.55644604e-26  1.10092966e-09]]
stress =  [-7.00355388e-11 -7.00355388e-11 -1.00543076e-10 -8.46436388e-26
 -6.52761705e-34 -6.17544587e-49]
energy per atom =  -5.051314880066663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0