element(s):
['Cr']
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:
['3.0849', '1.6535058']
model name:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 01:25:52       -5.537113         3.756578
BFGS:    1 01:25:52       -6.059785         3.623876
BFGS:    2 01:25:52       -6.573413         3.419071
BFGS:    3 01:25:52       -7.061365         3.156416
BFGS:    4 01:25:52       -7.491571         2.770130
BFGS:    5 01:25:52       -7.831103         2.151257
BFGS:    6 01:25:53       -8.049246         1.254727
BFGS:    7 01:25:53       -8.114795         0.254789
BFGS:    8 01:25:53       -8.116550         0.197171
BFGS:    9 01:25:53       -8.117600         0.206454
BFGS:   10 01:25:53       -8.121703         0.115423
BFGS:   11 01:25:53       -8.122179         0.029840
BFGS:   12 01:25:53       -8.122214         0.005118
BFGS:   13 01:25:53       -8.122215         0.000267
BFGS:   14 01:25:54       -8.122215         0.000023
BFGS:   15 01:25:54       -8.122215         0.000001
BFGS:   16 01:25:54       -8.122215         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.609800746712409e-32 eV/Angstrom
Maximum stress component: 3.0386847156276934e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.6120510500068317, 1.1763864880552305e-18, -3.5622832901904164e-36], [-1.3060255250034158, 2.262102565287733, -2.4187215682386217e-35], [-2.515876342896963e-35, -2.1699170634298592e-35, 4.136786121954515]])
forces =  [[-1.60980075e-32  9.29418894e-33 -8.47406398e-68]
 [ 1.07320050e-32 -9.29418894e-33  9.20587284e-68]]
stress =  [-3.03868472e-10 -3.03868472e-10 -1.65739606e-10 -1.10930708e-44
 -4.70558250e-45  1.32078678e-26]
energy per atom =  -4.061107736787503
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0