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_001
==== 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 12:07:51      -17.376761         0.394966
BFGS:    1 12:07:51      -17.383604         0.344716
BFGS:    2 12:07:51      -17.407490         0.052560
BFGS:    3 12:07:51      -17.407637         0.042069
BFGS:    4 12:07:51      -17.407816         0.017995
BFGS:    5 12:07:51      -17.407851         0.011447
BFGS:    6 12:07:51      -17.407859         0.008074
BFGS:    7 12:07:52      -17.407867         0.009507
BFGS:    8 12:07:52      -17.407886         0.012901
BFGS:    9 12:07:52      -17.407909         0.014194
BFGS:   10 12:07:52      -17.407928         0.011511
BFGS:   11 12:07:52      -17.407935         0.007518
BFGS:   12 12:07:52      -17.407938         0.005262
BFGS:   13 12:07:52      -17.407942         0.005007
BFGS:   14 12:07:52      -17.407946         0.003320
BFGS:   15 12:07:52      -17.407948         0.001212
BFGS:   16 12:07:52      -17.407949         0.000439
BFGS:   17 12:07:52      -17.407949         0.000052
BFGS:   18 12:07:52      -17.407949         0.000003
BFGS:   19 12:07:52      -17.407949         0.000000
BFGS:   20 12:07:53      -17.407949         0.000000
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