element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:20      -29.188856         2.566535
BFGS:    1 16:14:20      -29.281545         2.405209
BFGS:    2 16:14:20      -29.397960         2.199947
BFGS:    3 16:14:20      -29.503902         2.010581
BFGS:    4 16:14:20      -29.600349         1.836051
BFGS:    5 16:14:20      -29.688172         1.675349
BFGS:    6 16:14:20      -29.768152         1.527521
BFGS:    7 16:14:20      -29.840986         1.391666
BFGS:    8 16:14:20      -29.907304         1.266934
BFGS:    9 16:14:20      -29.967673         1.152520
BFGS:   10 16:14:20      -30.022606         1.047669
BFGS:   11 16:14:20      -30.084901         2.212873
BFGS:   12 16:14:20      -30.346542         6.421999
BFGS:   13 16:14:20      -30.406018         0.269724
BFGS:   14 16:14:20      -30.407412         0.268616
BFGS:   15 16:14:20      -30.415000         0.255949
BFGS:   16 16:14:20      -30.415983         0.253330
BFGS:   17 16:14:20      -30.425717         0.290333
BFGS:   18 16:14:20      -30.481036         2.342132
BFGS:   19 16:14:20      -30.540697         0.052668
BFGS:   20 16:14:20      -30.540938         0.013204
BFGS:   21 16:14:20      -30.540954         0.000005
BFGS:   22 16:14:20      -30.540954         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.30949613579753e-31 eV/Angstrom
Maximum stress component: 2.8581105468066035e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.05426185e-34 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.23877521e-34 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4709032437092433, 5.536734460831535e-18, -6.669303650697602e-35], [-1.2354516218546217, 2.1398649793455764, -1.3134740060766736e-34], [-2.9753479898422827e-34, -9.294256517413342e-34, 10.046096391431654]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.30949614e-31 -1.40671319e-31 -8.90260727e-66]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.85811055e-11 -2.85811055e-11  7.56046923e-32 -2.64421239e-45
 -8.46485355e-46 -1.65314942e-26]
energy per atom =  -7.635238611225673
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0