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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_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 18:20:51      -58.939804        0.0746
BFGS:    1 18:20:51      -58.940034        0.0694
BFGS:    2 18:20:51      -58.941522        0.0005
BFGS:    3 18:20:51      -58.941522        0.0000
BFGS:    4 18:20:51      -58.941522        0.0000
Minimization converged after 4 steps.
Maximum force component: 9.50762602413249e-31 eV/Angstrom
Maximum stress component: 2.592404318486884e-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([[4.132233543852714, -2.4857331044166344e-34, 1.226244365366056e-35], [-3.216530974651641e-39, 4.132233543852714, 1.4852171683752016e-23], [-2.436598589624366e-34, 1.485217168455988e-23, 4.132233543852714]])
forces =  [[ 1.60180229e-65 -2.71646458e-31 -2.71646458e-31]
 [-1.35823229e-31  1.35823229e-31 -2.71646458e-31]
 [-9.50762602e-31 -9.76358133e-55 -2.71646458e-31]
 [-5.43292916e-31  8.14939373e-31  1.35823229e-31]
 [-5.43292916e-31  4.07469687e-31 -4.07469687e-31]
 [ 2.54668554e-32 -2.71646458e-31  6.49694963e-31]
 [ 1.52801133e-31 -4.39303256e-31 -3.39558072e-32]
 [-3.39558072e-31  4.75381301e-31  1.70862673e-54]]
stress =  [-2.59240432e-11 -2.59240432e-11 -2.59240432e-11 -4.65015080e-27
  1.92495009e-33  5.64197230e-49]
energy per atom =  -7.367690239659347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0