element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:15      -59.045586         0.142862
BFGS:    1 16:31:15      -59.046435         0.134641
BFGS:    2 16:31:15      -59.053165         0.000608
BFGS:    3 16:31:15      -59.053165         0.000003
BFGS:    4 16:31:15      -59.053165         0.000000
Minimization converged after 4 steps.
Maximum force component: 8.35089963605324e-31 eV/Angstrom
Maximum stress component: 4.84614984875441e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.10609374490709, 1.1629703008672027e-33, 9.533280471211105e-35], [-1.0006226069921972e-33, 4.10609374490709, 8.578865004331738e-21], [1.0205953624166404e-34, 8.57886500433164e-21, 4.10609374490709]])
forces =  [[ 6.74820173e-32  2.36187060e-31  2.69928069e-31]
 [ 5.73597147e-31 -4.72374121e-31  6.74820173e-32]
 [ 3.79586347e-31  8.43525216e-32  8.35089964e-31]
 [ 2.02446052e-31  2.69928069e-31  6.74820173e-32]
 [-1.01223026e-31 -2.02446052e-31 -3.37410086e-32]
 [ 1.34964035e-31  2.02446052e-31  2.02446052e-31]
 [-1.51834539e-31  5.06115129e-32  1.34964035e-31]
 [ 1.51834539e-31  1.51834539e-31 -2.19316556e-31]]
stress =  [4.84614985e-12 4.84614985e-12 4.84614985e-12 4.11992226e-28
 0.00000000e+00 1.76940409e-61]
energy per atom =  -7.381645584759884
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0