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_LiyanageKimHouze_2014_FeC__MO_075279800195_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 16:34:21      -58.939804         0.074622
BFGS:    1 16:34:21      -58.940034         0.069414
BFGS:    2 16:34:21      -58.941522         0.000539
BFGS:    3 16:34:21      -58.941522         0.000004
BFGS:    4 16:34:21      -58.941522         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.7657019759103224e-30 eV/Angstrom
Maximum stress component: 2.5924091194624126e-11 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([[4.132233543852722, 7.923441378567794e-34, -3.941458957927909e-36], [1.4914600698090061e-33, 4.132233543852722, -1.8745665055224187e-21], [-8.474878281813873e-35, -1.8745665055225586e-21, 4.132233543852722]])
forces =  [[-1.08658583e-30  1.35823229e-31  1.35823229e-31]
 [ 8.14939373e-31 -1.22240906e-30  1.35823229e-31]
 [ 1.01867422e-31  1.35823229e-31  4.75381301e-31]
 [ 9.50762602e-31  5.43292916e-31 -1.22240906e-30]
 [-2.71646458e-31  1.08658583e-30  6.79116145e-32]
 [-1.01867422e-30  1.35823229e-31 -6.16155096e-53]
 [ 1.08658583e-30 -1.69779036e-32 -1.76570198e-30]
 [ 4.07469687e-31  3.90491783e-31 -1.77144590e-52]]
stress =  [-2.59240912e-11 -2.59240912e-11 -2.59240912e-11  4.87714979e-29
  1.92495009e-33 -2.69594488e-50]
energy per atom =  -7.3676902396593436
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0