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_001
==== 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 16:33:40      -59.045586         0.142862
BFGS:    1 16:33:40      -59.046435         0.134641
BFGS:    2 16:33:40      -59.053165         0.000608
BFGS:    3 16:33:40      -59.053165         0.000003
BFGS:    4 16:33:40      -59.053165         0.000000
Minimization converged after 4 steps.
Maximum force component: 5.398561380882902e-31 eV/Angstrom
Maximum stress component: 4.846149848754411e-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, -3.379636079320251e-34, 9.196936431728461e-35], [-2.0012452144503487e-33, 4.10609374490709, 8.578865004331738e-21], [2.0052183191394895e-34, 8.57886500433164e-21, 4.10609374490709]])
forces =  [[ 2.02446052e-31  6.74820173e-32  1.01223026e-31]
 [-2.36187060e-31 -4.72374121e-31 -9.86931635e-52]
 [-1.51834539e-31  1.11029809e-51  5.31420886e-31]
 [-4.04892104e-31 -3.52475584e-52 -1.68705043e-31]
 [ 2.36187060e-31 -5.39856138e-31 -2.53057565e-32]
 [ 2.02446052e-31  3.37410086e-32  6.74820173e-32]
 [-2.19316556e-31 -6.74820173e-32 -2.53057565e-31]
 [-3.88021599e-31  2.69928069e-31 -2.69928069e-31]]
stress =  [ 4.84614985e-12  4.84614985e-12  4.84614985e-12 -3.01182414e-28
  2.43692119e-34 -1.46746805e-50]
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