element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:49:04      -54.460595        12.255770
BFGS:    1 15:49:04      -56.784893         3.686289
BFGS:    2 15:49:04      -57.044798         1.572492
BFGS:    3 15:49:04      -57.118065         1.417888
BFGS:    4 15:49:04      -57.206524         1.045987
BFGS:    5 15:49:04      -57.264445         0.662017
BFGS:    6 15:49:04      -57.294813         0.285492
BFGS:    7 15:49:04      -57.300768         0.040667
BFGS:    8 15:49:04      -57.300845         0.041110
BFGS:    9 15:49:04      -57.301046         0.030307
BFGS:   10 15:49:04      -57.301144         0.013747
BFGS:   11 15:49:04      -57.301174         0.005608
BFGS:   12 15:49:04      -57.301176         0.000811
BFGS:   13 15:49:04      -57.301177         0.000077
BFGS:   14 15:49:04      -57.301177         0.000025
BFGS:   15 15:49:04      -57.301177         0.000006
BFGS:   16 15:49:04      -57.301177         0.000000
BFGS:   17 15:49:04      -57.301177         0.000000
BFGS:   18 15:49:04      -57.301177         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.0570482265957805e-09 eV/Angstrom
Maximum stress component: 1.9526601584162116e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.35201963e-34 8.66958081e-02]
 [9.93968023e-35 0.00000000e+00 5.86695808e-01]
 [5.91918102e-35 0.00000000e+00 9.13304192e-01]
 [0.00000000e+00 0.00000000e+00 4.13304192e-01]
 [3.33333333e-01 6.66666667e-01 6.57958079e-01]
 [6.66666667e-01 3.33333333e-01 1.57958079e-01]
 [6.66666667e-01 3.33333333e-01 3.42041921e-01]
 [3.33333333e-01 6.66666667e-01 8.42041921e-01]]
cellpar =  Cell([[2.4935179093968345, 4.778190218144872e-18, 7.587207844912175e-36], [-1.2467589546984172, 2.1594498543291216, 1.502570282306422e-35], [-6.8605904609837194e-37, -1.7311625691738848e-35, 8.606438048765966]])
forces =  [[ 2.56124843e-31  1.24213948e-31 -3.05704823e-09]
 [-5.73719649e-31  2.83917594e-31 -3.05704823e-09]
 [-4.09799749e-31  4.25876392e-31  3.05704823e-09]
 [ 5.63474655e-31 -2.66172745e-31  3.05704823e-09]
 [ 2.86859824e-31 -7.09793986e-32  8.80572650e-11]
 [-2.91982321e-31  7.98518234e-32  8.80572650e-11]
 [-9.73274404e-32  2.66172745e-32 -8.80572650e-11]
 [ 7.01945252e-48  1.77124892e-46 -8.80572650e-11]]
stress =  [-1.95266016e-10 -1.95266016e-10 -5.46966998e-11  1.32642862e-32
  1.53162784e-33  2.47670467e-27]
energy per atom =  -7.162647064267165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0