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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 13:56:56       -7.943414         2.965965
BFGS:    1 13:56:56       -8.192372         1.909152
BFGS:    2 13:56:56       -8.352266         0.894192
BFGS:    3 13:56:56       -8.397170         0.225071
BFGS:    4 13:56:56       -8.398834         0.096017
BFGS:    5 13:56:56       -8.399058         0.067242
BFGS:    6 13:56:56       -8.399560         0.064006
BFGS:    7 13:56:56       -8.399923         0.042698
BFGS:    8 13:56:56       -8.400057         0.014027
BFGS:    9 13:56:56       -8.400072         0.003311
BFGS:   10 13:56:56       -8.400073         0.000175
BFGS:   11 13:56:56       -8.400073         0.000010
BFGS:   12 13:56:56       -8.400073         0.000000
BFGS:   13 13:56:56       -8.400073         0.000000
Minimization converged after 13 steps.
Maximum force component: 5.2784437292719896e-33 eV/Angstrom
Maximum stress component: 2.930817106513708e-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([[2.5694293868861076, -1.888959464035106e-17, 8.774089713002905e-37], [-1.2847146934430538, 2.225191122273644, -1.4629439053429987e-36], [8.319766299183713e-37, 5.7144657061089795e-37, 4.155364533579842]])
forces =  [[ 5.27844373e-33 -3.88053717e-50  1.80248343e-69]
 [-5.27844373e-33  4.57126636e-33 -3.90660435e-69]]
stress =  [-1.07273474e-10 -1.07273474e-10 -2.93081711e-10  5.55434396e-34
  1.92408119e-34  2.19832331e-26]
energy per atom =  -4.200036403111066
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0