element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:26:22      -83.892098        12.592181
BFGS:    1 15:26:22      -86.220130         4.576368
BFGS:    2 15:26:22      -86.529145         1.093408
BFGS:    3 15:26:22      -86.573249         1.098118
BFGS:    4 15:26:22      -86.633984         0.945536
BFGS:    5 15:26:22      -86.673038         0.717816
BFGS:    6 15:26:22      -86.704246         0.593386
BFGS:    7 15:26:22      -86.726581         0.405687
BFGS:    8 15:26:22      -86.734372         0.126177
BFGS:    9 15:26:22      -86.734998         0.034572
BFGS:   10 15:26:22      -86.735108         0.014331
BFGS:   11 15:26:22      -86.735115         0.012286
BFGS:   12 15:26:22      -86.735134         0.011367
BFGS:   13 15:26:22      -86.735150         0.009618
BFGS:   14 15:26:22      -86.735160         0.003924
BFGS:   15 15:26:22      -86.735162         0.000618
BFGS:   16 15:26:22      -86.735162         0.000078
BFGS:   17 15:26:22      -86.735162         0.000005
BFGS:   18 15:26:22      -86.735162         0.000000
BFGS:   19 15:26:22      -86.735162         0.000000
BFGS:   20 15:26:22      -86.735162         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.873081326451241e-09 eV/Angstrom
Maximum stress component: 1.749031106046286e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 1.87738183e-01]
 [1.09528381e-34 0.00000000e+00 6.87738183e-01]
 [0.00000000e+00 0.00000000e+00 8.12261817e-01]
 [0.00000000e+00 3.96853985e-35 3.12261817e-01]
 [3.33333333e-01 6.66666667e-01 5.20455417e-01]
 [6.66666667e-01 3.33333333e-01 2.04554168e-02]
 [6.66666667e-01 3.33333333e-01 4.79544583e-01]
 [3.33333333e-01 6.66666667e-01 9.79544583e-01]
 [3.33333333e-01 6.66666667e-01 6.39522175e-01]
 [6.66666667e-01 3.33333333e-01 1.39522175e-01]
 [6.66666667e-01 3.33333333e-01 3.60477825e-01]
 [3.33333333e-01 6.66666667e-01 8.60477825e-01]]
cellpar =  Cell([[2.502346164198367, 2.5649688485974096e-18, 3.787775438458548e-35], [-1.2511730820991835, 2.167095347258332, 7.715021242606985e-35], [1.8664281820814927e-34, 5.271140840385211e-34, 12.737247160795512]])
forces =  [[-3.84262314e-31  2.44855531e-32  4.21203810e-10]
 [-5.75750893e-31  4.27384199e-31  4.21203810e-10]
 [-1.23375191e-31  4.27384199e-31 -4.21203810e-10]
 [-2.05625319e-32 -3.56153499e-32 -4.21203810e-10]
 [ 1.23375191e-31 -2.13692100e-31 -2.87308133e-09]
 [-4.20892179e-44 -5.69845599e-31 -2.87308133e-09]
 [ 1.23375191e-31  2.13692100e-31  2.87308133e-09]
 [ 3.18719244e-31  1.78076750e-32  2.87308133e-09]
 [-4.36953802e-32  7.56826186e-32  2.21444323e-10]
 [-4.17676429e-32  1.11297969e-33  2.21444323e-10]
 [-2.05625319e-32  3.56153499e-32 -2.21444323e-10]
 [-3.24489209e-45 -9.16417968e-45 -2.21444323e-10]]
stress =  [-8.71996021e-12 -8.71996021e-12  1.74903111e-11  1.19079114e-32
  4.12502152e-33 -1.05062011e-27]
energy per atom =  -7.22793014312731
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0