element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_tI10_87_a_h
Parameter names:
['a', 'c/a', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7467', '0.42063527', '0.92282991', '0.71989371']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.92282991 0.71989371 0.        ]]
spacegroup =  87
cell =  [[6.7467, 0, 0], [0, 6.7467, 0], [0, 0, 2.8379]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:23:56      -45.046206        1.9608
BFGS:    1 09:23:56      -45.273408        1.7360
BFGS:    2 09:23:56      -45.539027        1.3182
BFGS:    3 09:23:56      -45.671315        0.9140
BFGS:    4 09:23:56      -45.745486        0.6258
BFGS:    5 09:23:56      -45.821435        0.7676
BFGS:    6 09:23:56      -45.905663        0.7907
BFGS:    7 09:23:56      -45.990984        0.7150
BFGS:    8 09:23:56      -46.066281        0.5440
BFGS:    9 09:23:56      -46.116399        0.2624
BFGS:   10 09:23:56      -46.126210        0.1894
BFGS:   11 09:23:56      -46.128957        0.1793
BFGS:   12 09:23:56      -46.131945        0.1620
BFGS:   13 09:23:56      -46.135606        0.1638
BFGS:   14 09:23:56      -46.143965        0.1895
BFGS:   15 09:23:56      -46.153492        0.1459
BFGS:   16 09:23:56      -46.159571        0.1519
BFGS:   17 09:23:56      -46.161449        0.1628
BFGS:   18 09:23:56      -46.162890        0.1666
BFGS:   19 09:23:56      -46.165257        0.1614
BFGS:   20 09:23:56      -46.169738        0.1354
BFGS:   21 09:23:56      -46.174300        0.1213
BFGS:   22 09:23:56      -46.178132        0.0913
BFGS:   23 09:23:56      -46.180768        0.0459
BFGS:   24 09:23:56      -46.181489        0.0048
BFGS:   25 09:23:56      -46.181501        0.0013
BFGS:   26 09:23:56      -46.181503        0.0001
BFGS:   27 09:23:56      -46.181503        0.0000
BFGS:   28 09:23:56      -46.181503        0.0000
BFGS:   29 09:23:56      -46.181503        0.0000
BFGS:   30 09:23:56      -46.181503        0.0000
Minimization converged after 30 steps.
Maximum force component: 2.1924154323715288e-09 eV/Angstrom
Maximum stress component: 1.9159651357900594e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [9.28800512e-01 7.15505757e-01 0.00000000e+00]
 [7.11994883e-02 2.84494243e-01 2.11127872e-33]
 [2.84494243e-01 9.28800512e-01 4.22255745e-33]
 [7.15505757e-01 7.11994883e-02 0.00000000e+00]
 [4.28800512e-01 2.15505757e-01 5.00000000e-01]
 [5.71199488e-01 7.84494243e-01 5.00000000e-01]
 [7.84494243e-01 4.28800512e-01 5.00000000e-01]
 [2.15505757e-01 5.71199488e-01 5.00000000e-01]]
cellpar =  Cell([[6.363277078379975, 3.032487170732988e-18, -1.619181174063326e-32], [-3.032487170732985e-18, 6.363277078379977, -3.068334067047585e-17], [2.971206577288628e-32, -1.2674549661178491e-17, 2.919072577257374]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.01283354e-10 -2.19241543e-09  1.05716958e-26]
 [ 7.01283354e-10  2.19241543e-09 -1.05716958e-26]
 [ 2.19241543e-09 -7.01283354e-10  3.38153956e-27]
 [-2.19241543e-09  7.01283354e-10 -3.38154855e-27]
 [-7.01283354e-10 -2.19241543e-09  1.05717003e-26]
 [ 7.01283354e-10  2.19241543e-09 -1.05717014e-26]
 [ 2.19241543e-09 -7.01283354e-10  3.38154630e-27]
 [-2.19241543e-09  7.01283354e-10 -3.38154630e-27]]
stress =  [-1.91596514e-10 -1.91596514e-10 -4.31374829e-11  5.75777685e-26
 -6.63582205e-34 -8.60166609e-45]
energy per atom =  -4.6181502673653485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0