element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:52      -25.303467       18.6688
BFGS:    1 15:24:52      -28.048354        4.4181
BFGS:    2 15:24:52      -28.265682        1.5495
BFGS:    3 15:24:52      -28.314969        0.7643
BFGS:    4 15:24:52      -28.347925        0.3082
BFGS:    5 15:24:52      -28.349482        0.0859
BFGS:    6 15:24:52      -28.349723        0.0514
BFGS:    7 15:24:52      -28.349871        0.0616
BFGS:    8 15:24:52      -28.349964        0.0440
BFGS:    9 15:24:52      -28.349983        0.0124
BFGS:   10 15:24:52      -28.349984        0.0010
BFGS:   11 15:24:52      -28.349984        0.0000
BFGS:   12 15:24:52      -28.349984        0.0000
BFGS:   13 15:24:52      -28.349984        0.0000
BFGS:   14 15:24:52      -28.349984        0.0000
BFGS:   15 15:24:52      -28.349984        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.339831228130672e-09 eV/Angstrom
Maximum stress component: 6.66638877709089e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.07393481]
 [0.66666666 0.33333334 0.57393481]
 [0.66666666 0.33333334 0.92606519]
 [0.33333333 0.66666667 0.42606519]]
cellpar =  Cell([[2.487093509373031, 2.613059400517514e-18, 3.337706044693197e-36], [-1.2435467546865155, 2.1538861607044364, 5.7244641839683085e-36], [-4.7348891153180946e-35, -1.3705176875603023e-34, 4.355434227577715]])
forces =  [[-2.65683551e-31  1.76991311e-31  2.33983123e-09]
 [-4.90492709e-31  1.41593049e-31  2.33983123e-09]
 [-2.24809158e-31  5.30973933e-31 -2.33983123e-09]
 [ 3.26995140e-31  7.36274475e-44 -2.33983123e-09]]
stress =  [-6.92002983e-11 -6.92002983e-11 -6.66638878e-10 -9.19357000e-44
 -3.17434826e-44  8.61886658e-27]
energy per atom =  -7.087496008322556
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0