element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.559', '0.98817083']
model name:
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:54      -17.759653         3.032642
BFGS:    1 15:52:54      -18.023510         2.395476
BFGS:    2 15:52:54      -18.233782         1.576319
BFGS:    3 15:52:54      -18.376735         1.036714
BFGS:    4 15:52:54      -18.475524         0.577120
BFGS:    5 15:52:54      -18.510881         0.062859
BFGS:    6 15:52:54      -18.511179         0.012426
BFGS:    7 15:52:54      -18.511190         0.003121
BFGS:    8 15:52:54      -18.511190         0.003153
BFGS:    9 15:52:54      -18.511192         0.001298
BFGS:   10 15:52:54      -18.511192         0.000307
BFGS:   11 15:52:54      -18.511192         0.000027
BFGS:   12 15:52:54      -18.511192         0.000001
BFGS:   13 15:52:54      -18.511192         0.000000
BFGS:   14 15:52:54      -18.511192         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5200307448817738e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.29202481e-35]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.16809926e-35 5.00000000e-01]]
cellpar =  Cell([[3.7265730572280216, -5.074706704469889e-35, 3.304021041459005e-33], [3.7899683759140737e-35, 3.7265730572280216, 6.881292744511446e-19], [-8.268872373054612e-33, 6.6055067306831395e-19, 3.7265730572219353]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.25687151e-11 -2.25687151e-11 -2.52003074e-11  8.93347908e-27
  5.83922571e-45 -2.57751665e-60]
energy per atom =  -4.627797922671787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.