element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:25      -55.521875         7.394806
BFGS:    1 10:53:25      -57.198186         2.070158
BFGS:    2 10:53:25      -57.303820         1.873945
BFGS:    3 10:53:25      -57.430320         1.515842
BFGS:    4 10:53:26      -57.528454         1.134269
BFGS:    5 10:53:26      -57.597401         0.729395
BFGS:    6 10:53:26      -57.635070         0.299572
BFGS:    7 10:53:26      -57.642004         0.013019
BFGS:    8 10:53:26      -57.642013         0.008918
BFGS:    9 10:53:26      -57.642019         0.010116
BFGS:   10 10:53:26      -57.642028         0.008538
BFGS:   11 10:53:26      -57.642033         0.004782
BFGS:   12 10:53:26      -57.642035         0.002192
BFGS:   13 10:53:26      -57.642035         0.000451
BFGS:   14 10:53:26      -57.642035         0.000042
BFGS:   15 10:53:26      -57.642035         0.000005
BFGS:   16 10:53:27      -57.642035         0.000001
BFGS:   17 10:53:27      -57.642035         0.000000
BFGS:   18 10:53:27      -57.642035         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.3337746462838147e-09 eV/Angstrom
Maximum stress component: 7.559580398268643e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.10542493e-01 8.10542493e-01 0.00000000e+00]
 [1.89457507e-01 1.89457507e-01 7.94549468e-35]
 [1.89457507e-01 8.10542493e-01 0.00000000e+00]
 [8.10542493e-01 1.89457507e-01 7.94549468e-35]
 [3.10542493e-01 3.10542493e-01 5.00000000e-01]
 [6.89457507e-01 6.89457507e-01 5.00000000e-01]
 [6.89457507e-01 3.10542493e-01 5.00000000e-01]
 [3.10542493e-01 6.89457507e-01 5.00000000e-01]]
cellpar =  Cell([[4.460632993332811, -4.024062544816735e-36, 5.1549000081960124e-33], [-4.747648524775844e-36, 4.460632993332811, -5.3225513377902856e-18], [-2.2129609365211285e-32, -2.956441879022714e-18, 2.4239270449692216]])
forces =  [[-1.33377465e-09 -1.33377465e-09  1.59155675e-27]
 [ 1.33377465e-09  1.33377465e-09 -1.59155675e-27]
 [ 1.33377465e-09 -1.33377465e-09  1.59149700e-27]
 [-1.33377465e-09  1.33377465e-09 -1.59152688e-27]
 [-1.33377465e-09 -1.33377465e-09  1.59161651e-27]
 [ 1.33377465e-09  1.33377465e-09 -1.59173602e-27]
 [ 1.33377465e-09 -1.33377465e-09  1.59148206e-27]
 [-1.33377465e-09  1.33377465e-09 -1.59161651e-27]]
stress =  [ 6.04905188e-10  6.04905188e-10  7.55958040e-10 -1.19838688e-25
 -4.55999550e-33 -3.63000105e-49]
energy per atom =  -7.205254380938712
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0