element(s):
['C', 'Nb']
AFLOW prototype label:
AB_hP4_194_c_a
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:
['3.1551', '1.7660613']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]]
spacegroup =  194
cell =  [[3.1551, 0, 0], [-1.57755, 2.7323967514803, 0], [0, 0, 5.5721]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:48:56      -19.121973        5.4170
BFGS:    1 15:48:56      -19.656298        5.2305
BFGS:    2 15:48:56      -20.158998        4.9842
BFGS:    3 15:48:56      -20.624637        4.6784
BFGS:    4 15:48:56      -21.047223        4.3082
BFGS:    5 15:48:56      -21.420577        3.8698
BFGS:    6 15:48:56      -21.738585        3.3603
BFGS:    7 15:48:56      -21.995597        2.7795
BFGS:    8 15:48:56      -22.187130        2.1312
BFGS:    9 15:48:56      -22.311133        1.4279
BFGS:   10 15:48:56      -22.370817        0.7023
BFGS:   11 15:48:56      -22.384481        0.4488
BFGS:   12 15:48:56      -22.393548        0.5263
BFGS:   13 15:48:56      -22.420463        0.6057
BFGS:   14 15:48:56      -22.447313        0.5972
BFGS:   15 15:48:56      -22.472149        0.5112
BFGS:   16 15:48:56      -22.493887        0.3671
BFGS:   17 15:48:56      -22.511023        0.2420
BFGS:   18 15:48:56      -22.526731        0.1727
BFGS:   19 15:48:56      -22.543489        0.1722
BFGS:   20 15:48:56      -22.558610        0.1442
BFGS:   21 15:48:56      -22.565007        0.0302
BFGS:   22 15:48:56      -22.565053        0.0073
BFGS:   23 15:48:56      -22.565061        0.0027
BFGS:   24 15:48:56      -22.565062        0.0012
BFGS:   25 15:48:56      -22.565062        0.0001
BFGS:   26 15:48:56      -22.565062        0.0000
BFGS:   27 15:48:56      -22.565062        0.0000
BFGS:   28 15:48:56      -22.565062        0.0000
Minimization converged after 28 steps.
Maximum force component: 3.435377794286116e-32 eV/Angstrom
Maximum stress component: 2.417535218005215e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Nb', 'Nb']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333353e-09 0.00000000e+00]
 [9.99999997e-01 3.33333353e-09 5.00000000e-01]]
cellpar =  Cell([[3.145374400696092, -4.327322573919745e-17, 2.4299764747656355e-36], [-1.572687200348046, 2.72397413541607, -1.720194611682509e-37], [6.890685687480505e-36, -4.5204507294668606e-36, 4.180664374020025]])
forces =  [[-5.66228391e-68  3.71459047e-68 -3.43537779e-32]
 [ 5.66228391e-68 -3.71459047e-68  3.43537779e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.41753522e-10  2.41753522e-10  2.38826436e-10  7.21574069e-33
  2.49960590e-33 -7.86167369e-26]
energy per atom =  -5.64126543332746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0