element(s):
['Co', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6559']
model name:
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6559, 0, 0], [0, 3.6559, 0], [0, 0, 3.6559]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:00:28       -3.484314        14.004147
BFGS:    1 15:00:28       -4.353869        11.968758
BFGS:    2 15:00:28       -5.660740         9.572158
BFGS:    3 15:00:28       -6.694188         7.006063
BFGS:    4 15:00:28       -7.465642         4.826693
BFGS:    5 15:00:28       -8.033139         3.281699
BFGS:    6 15:00:28       -8.444545         2.132151
BFGS:    7 15:00:28       -8.729128         1.439325
BFGS:    8 15:00:28       -8.928945         1.086127
BFGS:    9 15:00:28       -9.079597         1.052761
BFGS:   10 15:00:28       -9.211696         1.232577
BFGS:   11 15:00:28       -9.334130         1.332426
BFGS:   12 15:00:28       -9.441071         1.302511
BFGS:   13 15:00:28       -9.524254         1.114092
BFGS:   14 15:00:28       -9.574437         0.789307
BFGS:   15 15:00:28       -9.584441         0.345476
BFGS:   16 15:00:28       -9.559145         0.068609
BFGS:   17 15:00:28       -9.565538         0.004229
BFGS:   18 15:00:28       -9.565191         0.000043
BFGS:   19 15:00:28       -9.565188         0.000000
BFGS:   20 15:00:28       -9.565188         0.000000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.708985235238774e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[1.95654426e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.07359624e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.07359624e-17]
 [0.00000000e+00 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[4.371404853164463, 2.8594415197510006e-32, 2.523202623803052e-33], [7.010775801158025e-34, 4.371404853164463, -1.6033277851001688e-17], [-1.2729381192476065e-33, -1.6033277851001697e-17, 4.371404853164463]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.70898524e-15 -3.70898524e-15 -3.70898524e-15 -7.26006648e-32
 -5.37523126e-35 -6.35337644e-52]
energy per atom =  0.2896678840672542
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0