element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:11:23     -138.774360        10.605486
BFGS:    1 15:11:23     -141.765894         3.735252
BFGS:    2 15:11:23     -143.259676         1.074918
BFGS:    3 15:11:23     -143.303158         0.167419
BFGS:    4 15:11:23     -143.305554         0.156210
BFGS:    5 15:11:23     -143.307371         0.147368
BFGS:    6 15:11:23     -143.312562         0.235974
BFGS:    7 15:11:23     -143.318576         0.281532
BFGS:    8 15:11:23     -143.323092         0.179863
BFGS:    9 15:11:23     -143.324336         0.049319
BFGS:   10 15:11:23     -143.324451         0.003212
BFGS:   11 15:11:23     -143.324453         0.000235
BFGS:   12 15:11:23     -143.324454         0.000025
BFGS:   13 15:11:23     -143.324454         0.000001
BFGS:   14 15:11:23     -143.324454         0.000000
BFGS:   15 15:11:23     -143.324454         0.000000
BFGS:   16 15:11:23     -143.324454         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.0464574060524292e-09 eV/Angstrom
Maximum stress component: 1.3179945229529877e-11 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', 'C', 'C', 'C', 'C']
basis =  [[0.27344835 0.27344835 0.27344835]
 [0.72655165 0.72655165 0.27344835]
 [0.72655165 0.27344835 0.72655165]
 [0.27344835 0.72655165 0.72655165]
 [0.27344835 0.27344835 0.72655165]
 [0.72655165 0.72655165 0.72655165]
 [0.27344835 0.72655165 0.27344835]
 [0.72655165 0.27344835 0.27344835]
 [0.5        0.15932607 0.15932607]
 [0.5        0.84067393 0.15932607]
 [0.5        0.15932607 0.84067393]
 [0.5        0.84067393 0.84067393]
 [0.15932607 0.5        0.15932607]
 [0.15932607 0.5        0.84067393]
 [0.84067393 0.5        0.15932607]
 [0.84067393 0.5        0.84067393]
 [0.15932607 0.15932607 0.5       ]
 [0.84067393 0.15932607 0.5       ]
 [0.15932607 0.84067393 0.5       ]
 [0.84067393 0.84067393 0.5       ]]
cellpar =  Cell([[5.240044268435348, -3.9872914836432945e-32, 2.0002270902125413e-32], [-1.0144115320355705e-32, 5.240044268435348, -2.9034685839678665e-19], [-1.9904221310294666e-32, -2.90346858396776e-19, 5.240044268435348]])
forces =  [[-9.22494829e-10 -9.22494829e-10 -9.22494829e-10]
 [ 9.22494829e-10  9.22494829e-10 -9.22494829e-10]
 [ 9.22494829e-10 -9.22494829e-10  9.22494829e-10]
 [-9.22494829e-10  9.22494829e-10  9.22494829e-10]
 [-9.22494829e-10 -9.22494829e-10  9.22494829e-10]
 [ 9.22494829e-10  9.22494829e-10  9.22494829e-10]
 [-9.22494829e-10  9.22494829e-10 -9.22494829e-10]
 [ 9.22494829e-10 -9.22494829e-10 -9.22494829e-10]
 [ 1.17351377e-41 -2.04645741e-09 -2.04645741e-09]
 [-8.61180430e-32  2.04645741e-09 -2.04645741e-09]
 [ 3.44472172e-31 -2.04645741e-09  2.04645741e-09]
 [ 1.72236086e-31  2.04645741e-09  2.04645741e-09]
 [-2.04645741e-09  1.13220409e-28 -2.04645741e-09]
 [-2.04645741e-09 -1.13392645e-28  2.04645741e-09]
 [ 2.04645741e-09  1.13564881e-28 -2.04645741e-09]
 [ 2.04645741e-09 -1.13220409e-28  2.04645741e-09]
 [-2.04645741e-09 -2.04645741e-09  1.13306527e-28]
 [ 2.04645741e-09 -2.04645741e-09  1.13306527e-28]
 [-2.04645741e-09  2.04645741e-09 -1.13306527e-28]
 [ 2.04645741e-09  2.04645741e-09 -1.13306527e-28]]
stress =  [ 1.31799452e-11  1.31799452e-11  1.31799452e-11  9.71090354e-30
 -2.99267316e-34 -2.60750496e-52]
energy per atom =  -7.1662226750109825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0