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 23:25:57      -25.303467        18.668766
BFGS:    1 23:25:57      -28.048354         4.418105
BFGS:    2 23:25:57      -28.265682         1.549459
BFGS:    3 23:25:57      -28.314969         0.764314
BFGS:    4 23:25:57      -28.347925         0.308248
BFGS:    5 23:25:57      -28.349482         0.085875
BFGS:    6 23:25:57      -28.349723         0.051385
BFGS:    7 23:25:57      -28.349871         0.061642
BFGS:    8 23:25:58      -28.349964         0.044004
BFGS:    9 23:25:58      -28.349983         0.012437
BFGS:   10 23:25:58      -28.349984         0.001026
BFGS:   11 23:25:58      -28.349984         0.000048
BFGS:   12 23:25:58      -28.349984         0.000005
BFGS:   13 23:25:58      -28.349984         0.000000
BFGS:   14 23:25:58      -28.349984         0.000000
BFGS:   15 23:25:58      -28.349984         0.000000
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