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_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== 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 23:10:26      -15.919300         1.558356
BFGS:    1 23:10:26      -16.019233         1.432477
BFGS:    2 23:10:26      -16.210582         1.109080
BFGS:    3 23:10:26      -16.348833         0.723180
BFGS:    4 23:10:27      -16.423992         0.266365
BFGS:    5 23:10:27      -16.434254         0.036430
BFGS:    6 23:10:27      -16.434437         0.001511
BFGS:    7 23:10:27      -16.434437         0.000008
BFGS:    8 23:10:27      -16.434437         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4421654200138005e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.56623241e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.51882037e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6172706759490003, 2.6421588711988506e-32, 1.4219133204600008e-32], [1.7550278965271307e-32, 3.6172706759490003, 2.5329414038325284e-17], [-4.2591209518349985e-33, 2.5329414038325294e-17, 3.6172706759490003]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.44216542e-10 -1.44216542e-10 -1.44216542e-10  2.16732249e-26
 -1.37174452e-58  1.73288925e-58]
energy per atom =  -4.108609295942276
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0