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 16:18:07      -27.258530         0.520127
BFGS:    1 16:18:07      -27.271317         0.496970
BFGS:    2 16:18:07      -27.332147         0.329167
BFGS:    3 16:18:07      -27.354802         0.143513
BFGS:    4 16:18:08      -27.356650         0.129328
BFGS:    5 16:18:08      -27.360154         0.095943
BFGS:    6 16:18:08      -27.361825         0.060548
BFGS:    7 16:18:08      -27.362251         0.069846
BFGS:    8 16:18:08      -27.362356         0.066994
BFGS:    9 16:18:08      -27.362569         0.060910
BFGS:   10 16:18:08      -27.363063         0.049527
BFGS:   11 16:18:08      -27.364080         0.053680
BFGS:   12 16:18:08      -27.365361         0.053324
BFGS:   13 16:18:08      -27.366495         0.032348
BFGS:   14 16:18:08      -27.366965         0.005612
BFGS:   15 16:18:08      -27.366980         0.000919
BFGS:   16 16:18:08      -27.366981         0.000095
BFGS:   17 16:18:08      -27.366981         0.000004
BFGS:   18 16:18:08      -27.366981         0.000000
BFGS:   19 16:18:08      -27.366981         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.5200898491329888e-09 eV/Angstrom
Maximum stress component: 4.4819531147513756e-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 4.25555621e-33 3.42260484e-01]
 [3.50000665e-34 2.55333373e-32 6.57739516e-01]
 [5.00000000e-01 5.00000000e-01 8.42260484e-01]
 [5.00000000e-01 5.00000000e-01 1.57739516e-01]]
cellpar =  Cell([[2.896437275043473, -1.3164436933153334e-36, -1.6211636281928408e-32], [-8.073298544819274e-36, 2.8964372750434735, -4.392451627855535e-17], [1.8279144565865995e-32, -1.646682969445782e-16, 11.043876402201779]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.23133411e-33  2.26651023e-26 -1.52008985e-09]
 [ 1.11566706e-33 -2.26651017e-26  1.52008985e-09]
 [ 2.23133411e-33  2.26651006e-26 -1.52008985e-09]
 [ 2.78916764e-33 -2.26651000e-26  1.52008985e-09]]
stress =  [ 4.48195311e-11  4.48195311e-11 -2.03362149e-11  2.12406309e-26
 -5.63532168e-43  4.14588598e-58]
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