element(s):
['Ni']
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:
['2.582', '1.5943455']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:06:18       -8.447789         2.472948
BFGS:    1 15:06:18       -8.640136         0.846129
BFGS:    2 15:06:18       -8.666227         0.260315
BFGS:    3 15:06:18       -8.670172         0.118959
BFGS:    4 15:06:18       -8.671117         0.018850
BFGS:    5 15:06:18       -8.671123         0.016286
BFGS:    6 15:06:18       -8.671144         0.000033
BFGS:    7 15:06:18       -8.671144         0.000000
BFGS:    8 15:06:18       -8.671144         0.000000
Minimization converged after 8 steps.
Maximum force component: 8.195173445973108e-32 eV/Angstrom
Maximum stress component: 2.489885125718806e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.493267969062942, 3.902622858698544e-18, 8.889453556413883e-37], [-1.246633984531471, 2.159233399650541, -5.930855608566971e-36], [-1.2784021320927806e-35, -2.975808323003789e-35, 3.993242466492765]])
forces =  [[ 8.19517345e-32 -1.77430710e-32  1.64068378e-32]
 [ 2.04879336e-32 -1.77430710e-32 -1.64068378e-32]]
stress =  [ 1.88471944e-10  1.88471944e-10  2.48988513e-10  8.93460190e-35
 -1.54751844e-34  3.15538497e-26]
energy per atom =  -4.3355721047239495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0