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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== 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 16:28:19      -52.327725         5.981379
BFGS:    1 16:28:19      -52.971756         4.262812
BFGS:    2 16:28:19      -53.537183         3.463912
BFGS:    3 16:28:19      -53.993978         2.711286
BFGS:    4 16:28:19      -54.345915         1.978752
BFGS:    5 16:28:19      -54.599821         1.323166
BFGS:    6 16:28:19      -54.759987         0.759448
BFGS:    7 16:28:19      -54.825211         0.241330
BFGS:    8 16:28:19      -54.828896         0.241377
BFGS:    9 16:28:19      -54.830805         0.251819
BFGS:   10 16:28:19      -54.834513         0.182114
BFGS:   11 16:28:19      -54.836106         0.075098
BFGS:   12 16:28:19      -54.836483         0.011890
BFGS:   13 16:28:19      -54.836505         0.001464
BFGS:   14 16:28:19      -54.836506         0.000206
BFGS:   15 16:28:19      -54.836506         0.000027
BFGS:   16 16:28:19      -54.836506         0.000009
BFGS:   17 16:28:19      -54.836506         0.000000
BFGS:   18 16:28:19      -54.836506         0.000000
BFGS:   19 16:28:19      -54.836506         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.9738686052268776e-10 eV/Angstrom
Maximum stress component: 6.519618000557154e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81770219 0.81770219 0.        ]
 [0.18229781 0.18229781 0.        ]
 [0.18229781 0.81770219 0.        ]
 [0.81770219 0.18229781 0.        ]
 [0.31770219 0.31770219 0.5       ]
 [0.68229781 0.68229781 0.5       ]
 [0.68229781 0.31770219 0.5       ]
 [0.31770219 0.68229781 0.5       ]]
cellpar =  Cell([[4.578249174231392, 6.350939909401245e-38, 6.266261869245414e-35], [-1.1987815956847173e-35, 4.5782491742313915, -1.9322863403877412e-17], [-6.134474449430998e-33, -1.049855047111939e-17, 2.4111545209797374]])
forces =  [[ 3.97386861e-10  3.97386861e-10 -1.67720273e-27]
 [-3.97386861e-10 -3.97386861e-10  1.67720273e-27]
 [-3.97386861e-10  3.97386861e-10 -1.67720273e-27]
 [ 3.97386861e-10 -3.97386861e-10  1.67720273e-27]
 [ 3.97386861e-10  3.97386861e-10 -1.67720273e-27]
 [-3.97386861e-10 -3.97386861e-10  1.67720273e-27]
 [-3.97386861e-10  3.97386861e-10 -1.67720273e-27]
 [ 3.97386861e-10 -3.97386861e-10  1.67720273e-27]]
stress =  [ 1.27504058e-10  1.27504058e-10 -6.51961800e-10 -9.18778930e-26
  7.84468519e-43  4.59158112e-59]
energy per atom =  -6.854563204820579
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0