element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB_tP4_129_c_c
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1541', '1.9122412', '0.60589439', '0.14761406']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.         0.5        0.60589439]
 [0.         0.5        0.14761406]]
spacegroup =  129
cell =  [[3.1541, 0, 0], [0, 3.1541, 0], [0, 0, 6.0314]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:35:43      -17.376761        0.3950
BFGS:    1 16:35:43      -17.383604        0.3447
BFGS:    2 16:35:43      -17.407490        0.0526
BFGS:    3 16:35:43      -17.407637        0.0421
BFGS:    4 16:35:43      -17.407816        0.0180
BFGS:    5 16:35:43      -17.407851        0.0114
BFGS:    6 16:35:43      -17.407859        0.0081
BFGS:    7 16:35:43      -17.407867        0.0095
BFGS:    8 16:35:43      -17.407886        0.0129
BFGS:    9 16:35:43      -17.407909        0.0142
BFGS:   10 16:35:43      -17.407928        0.0115
BFGS:   11 16:35:43      -17.407935        0.0075
BFGS:   12 16:35:43      -17.407938        0.0053
BFGS:   13 16:35:43      -17.407942        0.0050
BFGS:   14 16:35:43      -17.407946        0.0033
BFGS:   15 16:35:43      -17.407948        0.0012
BFGS:   16 16:35:43      -17.407949        0.0004
BFGS:   17 16:35:43      -17.407949        0.0001
BFGS:   18 16:35:43      -17.407949        0.0000
BFGS:   19 16:35:43      -17.407949        0.0000
BFGS:   20 16:35:43      -17.407949        0.0000
Minimization converged after 20 steps.
Maximum force component: 5.016618174688567e-09 eV/Angstrom
Maximum stress component: 4.1717944753628027e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
basis =  [[3.64752619e-33 5.00000000e-01 5.99556834e-01]
 [5.00000000e-01 0.00000000e+00 4.00443166e-01]
 [7.35249554e-33 5.00000000e-01 1.44408723e-01]
 [5.00000000e-01 0.00000000e+00 8.55591277e-01]]
cellpar =  Cell([[3.1255358615197366, -2.7950528958411874e-37, -1.461262508343287e-41], [-5.45824551688573e-37, 3.1255358615197375, -1.7717099469385414e-21], [-2.4072343505697835e-39, -3.2777976190140113e-21, 5.974969886424484]])
forces =  [[-7.29010795e-49 -1.00228490e-30  1.80946967e-09]
 [ 7.29010795e-49  1.01191620e-30 -1.80946967e-09]
 [-2.02112744e-48 -2.74242593e-30  5.01661817e-09]
 [ 2.02112744e-48  2.73279463e-30 -5.01661817e-09]]
stress =  [-1.66650171e-11 -1.66650171e-11 -4.17179448e-10  1.68003355e-27
  2.88760849e-34 -1.16380054e-51]
energy per atom =  -4.35198720097813
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0