element(s):
['Cu', 'Ti']
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:
['2.9855', '3.6620667', '0.33929747']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.33929747]]
spacegroup =  139
cell =  [[2.9855, 0, 0], [0, 2.9855, 0], [0, 0, 10.9331]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:48:20      -27.258530        0.5201
BFGS:    1 13:48:20      -27.271317        0.4970
BFGS:    2 13:48:20      -27.332147        0.3292
BFGS:    3 13:48:20      -27.354802        0.1435
BFGS:    4 13:48:20      -27.356650        0.1293
BFGS:    5 13:48:20      -27.360154        0.0959
BFGS:    6 13:48:20      -27.361825        0.0605
BFGS:    7 13:48:20      -27.362251        0.0698
BFGS:    8 13:48:20      -27.362356        0.0670
BFGS:    9 13:48:20      -27.362569        0.0609
BFGS:   10 13:48:20      -27.363063        0.0495
BFGS:   11 13:48:20      -27.364080        0.0537
BFGS:   12 13:48:20      -27.365361        0.0533
BFGS:   13 13:48:20      -27.366495        0.0323
BFGS:   14 13:48:20      -27.366965        0.0056
BFGS:   15 13:48:20      -27.366980        0.0009
BFGS:   16 13:48:20      -27.366981        0.0001
BFGS:   17 13:48:20      -27.366981        0.0000
BFGS:   18 13:48:20      -27.366981        0.0000
BFGS:   19 13:48:20      -27.366981        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.5200932249048726e-09 eV/Angstrom
Maximum stress component: 4.4819089728958276e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 3.42260484e-01]
 [1.15555870e-33 0.00000000e+00 6.57739516e-01]
 [5.00000000e-01 5.00000000e-01 8.42260484e-01]
 [5.00000000e-01 5.00000000e-01 1.57739516e-01]]
cellpar =  Cell([[2.8964372750434726, -6.235986814563879e-36, -3.92767663035219e-32], [-1.7348971744919424e-36, 2.8964372750434726, 1.9461637009022175e-17], [-2.0782207423470603e-32, 7.50506634014697e-17, 11.043876402201773]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.11566706e-32 -1.03300734e-26 -1.52009322e-09]
 [ 4.46266822e-33  1.03300712e-26  1.52009322e-09]
 [-8.92533645e-33 -1.03300701e-26 -1.52009322e-09]
 [-2.23133411e-33  1.03300679e-26  1.52009322e-09]]
stress =  [ 4.48190897e-11  4.48190897e-11 -2.03366942e-11 -9.03125715e-27
 -2.88998811e-34 -1.80506680e-49]
energy per atom =  -4.561163438768243
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0