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:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== 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 15:42:09       -5.506972         4.007472
BFGS:    1 15:42:09       -6.058637         3.590928
BFGS:    2 15:42:09       -6.557155         3.247896
BFGS:    3 15:42:09       -6.999160         2.799029
BFGS:    4 15:42:09       -7.395672         2.627508
BFGS:    5 15:42:09       -7.753515         2.371922
BFGS:    6 15:42:09       -8.075041         1.966484
BFGS:    7 15:42:09       -8.297236         1.108786
BFGS:    8 15:42:09       -8.384434         0.356266
BFGS:    9 15:42:09       -8.386680         0.292128
BFGS:   10 15:42:09       -8.392163         0.232018
BFGS:   11 15:42:09       -8.394108         0.140382
BFGS:   12 15:42:09       -8.395171         0.024203
BFGS:   13 15:42:09       -8.395195         0.010129
BFGS:   14 15:42:09       -8.395198         0.000210
BFGS:   15 15:42:09       -8.395198         0.000001
BFGS:   16 15:42:09       -8.395198         0.000000
BFGS:   17 15:42:09       -8.395198         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.3055684908477784e-31 eV/Angstrom
Maximum stress component: 1.5802138417759523e-13 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([[2.4959168533455087, 7.166782780494144e-17, 1.5373132675812045e-35], [-1.2479584266727544, 2.1615274007309284, 3.525429113454362e-35], [3.8894082572582636e-35, 5.600548895911631e-35, 3.9720112345493996]])
forces =  [[ 8.20388012e-32 -3.55238430e-32 -1.30556849e-31]
 [ 8.20388012e-32 -3.55238430e-32  1.30556849e-31]]
stress =  [-1.06234934e-13 -1.06234934e-13 -1.58021384e-13  9.57101478e-34
  6.60227555e-48 -5.57293640e-31]
energy per atom =  -4.19759906102453
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0