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_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 10:51:21       -6.006860         4.015404
BFGS:    1 10:51:21       -6.519532         3.375551
BFGS:    2 10:51:21       -6.912400         2.473170
BFGS:    3 10:51:21       -7.193003         2.501181
BFGS:    4 10:51:22       -7.465953         2.635647
BFGS:    5 10:51:22       -7.857966         2.718108
BFGS:    6 10:51:22       -8.070055         0.106585
BFGS:    7 10:51:22       -8.070259         0.031298
BFGS:    8 10:51:22       -8.070272         0.009148
BFGS:    9 10:51:22       -8.070274         0.003659
BFGS:   10 10:51:22       -8.070275         0.000758
BFGS:   11 10:51:22       -8.070275         0.000090
BFGS:   12 10:51:22       -8.070275         0.000002
BFGS:   13 10:51:23       -8.070275         0.000000
BFGS:   14 10:51:23       -8.070275         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.272231412268055e-32 eV/Angstrom
Maximum stress component: 8.494437003309876e-11 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([[2.6547495128622507, 1.1801863719928656e-16, -1.3086318047921924e-36], [-1.3273747564311253, 2.299080518823071, -3.621969199428554e-36], [-9.876591244875967e-36, -5.39013043344794e-35, 4.388219137942159]])
forces =  [[ 3.27223141e-32 -2.83383553e-32  3.65791510e-68]
 [-3.27223141e-32  2.83383553e-32 -3.65791510e-68]]
stress =  [-5.15020511e-11 -5.15020511e-11  8.49443700e-11 -2.44347538e-33
 -4.39615774e-46 -1.47568652e-28]
energy per atom =  -4.035137491941869
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0