element(s):
['Cu', 'Ti']
AFLOW prototype label:
A4B3_tI14_139_2e_ae
Parameter names:
['a', 'c/a', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1601', '6.5168824', '0.86640082', '0.57227128', '0.70712012']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.86640082]
 [0.         0.         0.57227128]
 [0.         0.         0.        ]
 [0.         0.         0.70712012]]
spacegroup =  139
cell =  [[3.1601, 0, 0], [0, 3.1601, 0], [0, 0, 20.594]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:41:13      -59.518532         0.412184
BFGS:    1 16:41:14      -59.531533         0.373820
BFGS:    2 16:41:14      -59.600509         0.275114
BFGS:    3 16:41:14      -59.615257         0.316191
BFGS:    4 16:41:14      -59.630989         0.298000
BFGS:    5 16:41:15      -59.656528         0.262734
BFGS:    6 16:41:15      -59.666523         0.229397
BFGS:    7 16:41:15      -59.670130         0.180212
BFGS:    8 16:41:15      -59.672232         0.151468
BFGS:    9 16:41:16      -59.676157         0.114353
BFGS:   10 16:41:16      -59.680056         0.126126
BFGS:   11 16:41:16      -59.683755         0.166727
BFGS:   12 16:41:16      -59.687766         0.178202
BFGS:   13 16:41:17      -59.694776         0.171549
BFGS:   14 16:41:17      -59.703273         0.195623
BFGS:   15 16:41:17      -59.711637         0.176352
BFGS:   16 16:41:17      -59.718802         0.124439
BFGS:   17 16:41:18      -59.722747         0.073850
BFGS:   18 16:41:18      -59.723100         0.060182
BFGS:   19 16:41:18      -59.723426         0.047790
BFGS:   20 16:41:18      -59.723924         0.050787
BFGS:   21 16:41:19      -59.724880         0.057385
BFGS:   22 16:41:19      -59.725897         0.043344
BFGS:   23 16:41:19      -59.726407         0.015913
BFGS:   24 16:41:19      -59.726493         0.002996
BFGS:   25 16:41:20      -59.726498         0.000277
BFGS:   26 16:41:20      -59.726498         0.000032
BFGS:   27 16:41:20      -59.726498         0.000004
BFGS:   28 16:41:20      -59.726498         0.000001
BFGS:   29 16:41:21      -59.726498         0.000000
BFGS:   30 16:41:21      -59.726498         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.3655359657085504e-09 eV/Angstrom
Maximum stress component: 1.737506334893157e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 3.20072576e-32 8.65821203e-01]
 [2.02972903e-33 2.00045360e-32 1.34178797e-01]
 [5.00000000e-01 5.00000000e-01 3.65821203e-01]
 [5.00000000e-01 5.00000000e-01 6.34178797e-01]
 [0.00000000e+00 0.00000000e+00 5.79123420e-01]
 [4.85805226e-33 6.40145153e-32 4.20876580e-01]
 [5.00000000e-01 5.00000000e-01 7.91234204e-02]
 [5.00000000e-01 5.00000000e-01 9.20876580e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [7.31075789e-33 4.80108864e-32 7.08058159e-01]
 [0.00000000e+00 8.00181441e-33 2.91941841e-01]
 [5.00000000e-01 5.00000000e-01 2.08058159e-01]
 [5.00000000e-01 5.00000000e-01 7.91941841e-01]]
cellpar =  Cell([[3.0807891852703215, -5.164120470763444e-37, -1.6340533523206093e-32], [-4.3346609736461514e-38, 3.080789185270322, 8.362846198181815e-17], [-1.635434254417427e-31, 5.48762201632396e-16, 21.075494542366883]])
forces =  [[ 1.89868293e-32 -5.99114095e-26 -2.30092703e-09]
 [ 1.89868292e-32  5.99113906e-26  2.30092703e-09]
 [ 1.18667683e-32 -5.99114095e-26 -2.30092703e-09]
 [ 2.84802439e-32  5.99114095e-26  2.30092703e-09]
 [-3.79736586e-32  1.00075553e-25  3.84345309e-09]
 [-2.37335365e-32 -1.00075553e-25 -3.84345309e-09]
 [-1.89868293e-32  1.00075553e-25  3.84345309e-09]
 [ 2.98247561e-41 -1.00075553e-25 -3.84345309e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.37335362e-33 -1.13669529e-25 -4.36553597e-09]
 [-8.30673784e-33  1.13669491e-25  4.36553597e-09]
 [ 3.38760594e-41 -1.13669524e-25 -4.36553597e-09]
 [-3.38760594e-41  1.13669491e-25  4.36553597e-09]]
stress =  [ 3.57960811e-12  3.57960811e-12  1.73750633e-10  4.14665809e-25
 -3.79673925e-34 -9.07235815e-49]
energy per atom =  -4.266178413306361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0