element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4403', '1.5759538']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:58:40       -7.950279         3.079924
BFGS:    1 13:58:40       -8.167319         1.821168
BFGS:    2 13:58:40       -8.297448         0.846500
BFGS:    3 13:58:40       -8.332991         0.257101
BFGS:    4 13:58:40       -8.334878         0.121567
BFGS:    5 13:58:40       -8.335345         0.087626
BFGS:    6 13:58:40       -8.336380         0.085933
BFGS:    7 13:58:40       -8.336964         0.047494
BFGS:    8 13:58:40       -8.337131         0.014886
BFGS:    9 13:58:40       -8.337145         0.002744
BFGS:   10 13:58:40       -8.337146         0.000101
BFGS:   11 13:58:40       -8.337146         0.000007
BFGS:   12 13:58:40       -8.337146         0.000000
BFGS:   13 13:58:40       -8.337146         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.8310057543565352e-32 eV/Angstrom
Maximum stress component: 1.1127318575603079e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5465514534744544, -3.882122299677181e-17, -1.5808930257689468e-35], [-1.2732757267372272, 2.205378250753064, -1.5080184882470683e-35], [-2.1887426955429872e-35, -3.687212955998978e-35, 4.168219358184537]])
forces =  [[-1.83100575e-32  1.35916928e-32 -2.79854449e-68]
 [-7.84716752e-33 -4.53056428e-33  9.59329749e-68]]
stress =  [-2.12023824e-11 -2.12023824e-11 -1.11273186e-10 -1.67608801e-34
  9.67689863e-35 -1.23786569e-26]
energy per atom =  -4.168572981621466
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0