element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:51     -113.348557        12.573029
BFGS:    1 15:27:51     -115.662524         4.700539
BFGS:    2 15:27:51     -115.999486         1.008184
BFGS:    3 15:27:51     -116.054004         0.836247
BFGS:    4 15:27:51     -116.103876         0.727259
BFGS:    5 15:27:51     -116.119610         0.637156
BFGS:    6 15:27:51     -116.149054         0.454566
BFGS:    7 15:27:51     -116.173573         0.275604
BFGS:    8 15:27:52     -116.190833         0.178428
BFGS:    9 15:27:52     -116.196320         0.048121
BFGS:   10 15:27:52     -116.196625         0.014409
BFGS:   11 15:27:52     -116.196679         0.005839
BFGS:   12 15:27:52     -116.196680         0.005092
BFGS:   13 15:27:52     -116.196683         0.004732
BFGS:   14 15:27:52     -116.196686         0.004720
BFGS:   15 15:27:52     -116.196690         0.002862
BFGS:   16 15:27:52     -116.196691         0.000781
BFGS:   17 15:27:52     -116.196691         0.000120
BFGS:   18 15:27:52     -116.196691         0.000010
BFGS:   19 15:27:52     -116.196691         0.000001
BFGS:   20 15:27:52     -116.196691         0.000000
BFGS:   21 15:27:52     -116.196691         0.000000
BFGS:   22 15:27:52     -116.196691         0.000000
BFGS:   23 15:27:52     -116.196691         0.000000
Minimization converged after 23 steps.
Maximum force component: 2.4445691120238842e-09 eV/Angstrom
Maximum stress component: 2.2551557999911478e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.42824219e-35 1.66664075e-35 4.57565540e-02]
 [2.14626793e-35 0.00000000e+00 5.45756554e-01]
 [6.92697584e-35 0.00000000e+00 9.54243446e-01]
 [6.04838235e-35 0.00000000e+00 4.54243446e-01]
 [3.33333333e-01 6.66666667e-01 7.64746651e-02]
 [6.66666667e-01 3.33333333e-01 5.76474665e-01]
 [6.66666667e-01 3.33333333e-01 9.23525335e-01]
 [3.33333333e-01 6.66666667e-01 4.23525335e-01]
 [3.33333333e-01 6.66666667e-01 1.66473457e-01]
 [6.66666667e-01 3.33333333e-01 6.66473457e-01]
 [6.66666667e-01 3.33333333e-01 8.33526543e-01]
 [3.33333333e-01 6.66666667e-01 3.33526543e-01]
 [3.33333333e-01 6.66666667e-01 7.97035488e-01]
 [6.66666667e-01 3.33333333e-01 2.97035488e-01]
 [6.66666667e-01 3.33333333e-01 2.02964512e-01]
 [3.33333333e-01 6.66666667e-01 7.02964512e-01]]
cellpar =  Cell([[2.5070823721871114, 1.605937927657577e-18, -2.639116140760763e-32], [-1.2535411860935557, 2.1711970236941904, -5.278293253561507e-32], [-1.7747166896571287e-31, -5.123077080892326e-31, 16.860550985553687]])
forces =  [[-3.29623212e-31  1.42731037e-31  2.39287965e-09]
 [ 6.18043521e-32 -1.07048278e-31  2.39287965e-09]
 [ 1.64811606e-31 -2.14096556e-31 -2.39287965e-09]
 [ 7.21050776e-32  1.60572417e-31 -2.39287965e-09]
 [-2.06014507e-31 -7.13655188e-32  2.38535957e-09]
 [-1.03007254e-31  1.78413797e-31  2.38535957e-09]
 [ 2.06014507e-31  7.13655188e-32 -2.38535957e-09]
 [ 6.18043522e-32 -1.78413797e-31 -2.38535957e-09]
 [-1.64811606e-31  7.13655188e-32 -1.19578702e-09]
 [ 2.26615958e-31 -1.78413797e-31 -1.19578702e-09]
 [ 1.43888257e-31 -1.06490735e-31  1.19578702e-09]
 [ 2.06014507e-32 -3.56827594e-32  1.19578702e-09]
 [-4.94434817e-31  1.42731037e-31  2.44456911e-09]
 [-2.51080181e-31  6.69051731e-33  2.44456911e-09]
 [-2.06014507e-31  3.56827594e-31 -2.44456911e-09]
 [ 2.47217409e-31  4.28193112e-31 -2.44456911e-09]]
stress =  [-1.40489341e-10 -1.40489341e-10 -2.25515580e-10 -1.78671860e-38
 -6.18937480e-39 -3.89626463e-26]
energy per atom =  -7.26229318492292
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0