element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:07:15      -15.654173         2.573102
BFGS:    1 15:07:15      -15.905703         1.939573
BFGS:    2 15:07:15      -16.111764         0.779681
BFGS:    3 15:07:15      -16.149666         0.022294
BFGS:    4 15:07:16      -16.149698         0.000544
BFGS:    5 15:07:16      -16.149698         0.000001
BFGS:    6 15:07:16      -16.149698         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.562068771381632e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.7618461292519263, 2.4018908683272855e-34, 7.648430937541765e-33], [-2.1685255972061012e-33, 3.7618461292519263, -1.3352617418932617e-17], [1.76435800225201e-33, -1.3352617418932613e-17, 3.7618461292519263]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.56206877e-13  9.56206877e-13  9.56206877e-13  1.98589262e-28
 -5.80667000e-34  2.78666715e-51]
energy per atom =  -4.037424504642518
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0