element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:26:17      -58.948466        0.2103
BFGS:    1 17:26:17      -58.950284        0.1932
BFGS:    2 17:26:17      -58.959996        0.0040
BFGS:    3 17:26:17      -58.960000        0.0001
BFGS:    4 17:26:17      -58.960000        0.0000
BFGS:    5 17:26:17      -58.960000        0.0000
Minimization converged after 5 steps.
Maximum force component: 8.76739420016598e-32 eV/Angstrom
Maximum stress component: 3.3477323482669343e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.28395330e-34 0.00000000e+00 0.00000000e+00]
 [5.77778983e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.5564776064889285, -2.0322033988265311e-41, -1.0771129874121977e-34], [1.0830595816168802e-34, 3.5564776064889285, 6.791613536090544e-23], [-3.279258812568543e-35, 6.791613536104985e-23, 3.5564776064889285]])
forces =  [[ 1.09592428e-32  8.76739420e-32  6.57554565e-32]
 [-4.38369710e-32  4.38369710e-32  1.46123237e-32]
 [ 8.76739420e-32 -1.46123237e-32  3.28777283e-32]
 [-5.47962138e-32 -1.39521833e-55 -7.30616183e-33]
 [-7.30616183e-33  1.46123237e-32 -1.82654046e-32]
 [ 2.92246473e-32 -5.84492947e-32 -4.38369710e-32]
 [ 3.65308092e-32 -3.65308092e-32  7.30616183e-33]
 [ 1.82654046e-32  5.84492947e-32 -5.47962138e-32]]
stress =  [-3.34773235e-14 -3.34773235e-14 -3.34773235e-14  3.24419820e-31
  1.55494802e-64  1.52447743e-64]
energy per atom =  -7.3700000025106895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0