element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8057']
model name:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8057, 0, 0], [0, 3.8057, 0], [0, 0, 3.8057]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:11:05      -15.964136         1.518865
BFGS:    1 11:11:05      -16.058980         1.393581
BFGS:    2 11:11:05      -16.244141         1.065784
BFGS:    3 11:11:05      -16.375698         0.677605
BFGS:    4 11:11:05      -16.444008         0.221100
BFGS:    5 11:11:05      -16.451166         0.027163
BFGS:    6 11:11:05      -16.451270         0.000915
BFGS:    7 11:11:05      -16.451270         0.000004
BFGS:    8 11:11:05      -16.451270         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.845577602972964e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.621740335265455, -2.582018159854777e-32, -2.303291462393229e-32], [-4.3897007119890863e-33, 3.621740335265455, -3.082720977731362e-18], [1.1922392162064069e-32, -3.0827209777313903e-18, 3.621740335265455]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.84557760e-11 -3.84557760e-11 -3.84557760e-11  1.03369317e-26
  4.69846336e-34 -5.71964410e-50]
energy per atom =  -4.112817514347334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0