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_002
==== 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 15:43:39      -59.518532         0.412184
BFGS:    1 15:43:39      -59.531533         0.373820
BFGS:    2 15:43:39      -59.600509         0.275114
BFGS:    3 15:43:39      -59.615257         0.316191
BFGS:    4 15:43:39      -59.630989         0.298000
BFGS:    5 15:43:39      -59.656528         0.262734
BFGS:    6 15:43:39      -59.666523         0.229397
BFGS:    7 15:43:39      -59.670130         0.180212
BFGS:    8 15:43:39      -59.672232         0.151468
BFGS:    9 15:43:39      -59.676157         0.114353
BFGS:   10 15:43:40      -59.680056         0.126126
BFGS:   11 15:43:40      -59.683755         0.166727
BFGS:   12 15:43:40      -59.687766         0.178202
BFGS:   13 15:43:40      -59.694776         0.171549
BFGS:   14 15:43:40      -59.703273         0.195623
BFGS:   15 15:43:40      -59.711637         0.176352
BFGS:   16 15:43:40      -59.718802         0.124439
BFGS:   17 15:43:40      -59.722747         0.073850
BFGS:   18 15:43:40      -59.723100         0.060182
BFGS:   19 15:43:40      -59.723426         0.047790
BFGS:   20 15:43:40      -59.723924         0.050787
BFGS:   21 15:43:40      -59.724880         0.057385
BFGS:   22 15:43:40      -59.725897         0.043344
BFGS:   23 15:43:41      -59.726407         0.015913
BFGS:   24 15:43:41      -59.726493         0.002996
BFGS:   25 15:43:41      -59.726498         0.000277
BFGS:   26 15:43:41      -59.726498         0.000032
BFGS:   27 15:43:41      -59.726498         0.000004
BFGS:   28 15:43:41      -59.726498         0.000001
BFGS:   29 15:43:41      -59.726498         0.000000
BFGS:   30 15:43:41      -59.726498         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.365526658917097e-09 eV/Angstrom
Maximum stress component: 1.7374952344967292e-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 1.40031752e-32 8.65821203e-01]
 [2.14898874e-33 0.00000000e+00 1.34178797e-01]
 [5.00000000e-01 5.00000000e-01 3.65821203e-01]
 [5.00000000e-01 5.00000000e-01 6.34178797e-01]
 [0.00000000e+00 8.00181441e-33 5.79123420e-01]
 [2.53855056e-33 0.00000000e+00 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]
 [0.00000000e+00 6.00136081e-33 7.08058159e-01]
 [7.58757359e-34 1.00022680e-33 2.91941841e-01]
 [5.00000000e-01 5.00000000e-01 2.08058159e-01]
 [5.00000000e-01 5.00000000e-01 7.91941841e-01]]
cellpar =  Cell([[3.0807891852703198, 6.4824955602066785e-37, 1.6855903641355386e-31], [1.7377812088942708e-36, 3.0807891852703198, -7.872547147350665e-18], [7.772769036948789e-32, -5.6655228632035e-17, 21.075494542366883]])
forces =  [[-8.48596022e-42  6.18536347e-27 -2.30092786e-09]
 [ 8.48596022e-42 -6.18536347e-27  2.30092786e-09]
 [-8.48596022e-42  6.18536347e-27 -2.30092786e-09]
 [ 8.48596022e-42 -6.18536347e-27  2.30092786e-09]
 [ 1.41748292e-41 -1.03319445e-26  3.84343769e-09]
 [-1.41748292e-41  1.03319445e-26 -3.84343769e-09]
 [ 1.41748292e-41 -1.03319445e-26  3.84343769e-09]
 [ 2.37335364e-33  1.03319445e-26 -3.84343769e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.42401219e-32  1.17354072e-26 -4.36552666e-09]
 [ 1.42401220e-32 -1.17353977e-26  4.36552666e-09]
 [-1.89868293e-32  1.17354167e-26 -4.36552666e-09]
 [-2.84802439e-32 -1.17354167e-26  4.36552666e-09]]
stress =  [3.57884260e-12 3.57884260e-12 1.73749523e-10 2.83214531e-25
 5.69510823e-34 9.28311847e-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