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_PunMishin_2009_NiAl__MO_751354403791_005
==== 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 15:06:13       -8.767204         1.047316
BFGS:    1 15:06:13       -8.798036         0.871085
BFGS:    2 15:06:13       -8.852964         0.156695
BFGS:    3 15:06:13       -8.854393         0.149355
BFGS:    4 15:06:13       -8.854704         0.128949
BFGS:    5 15:06:13       -8.855736         0.002230
BFGS:    6 15:06:13       -8.855737         0.000034
BFGS:    7 15:06:13       -8.855737         0.000001
BFGS:    8 15:06:13       -8.855737         0.000000
BFGS:    9 15:06:13       -8.855737         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0831105281821136e-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([[2.4818885159732744, -1.256616377321415e-17, 1.456586211533494e-37], [-1.2409442579866372, 2.1493785041937152, -5.321059102715151e-37], [6.444782876512471e-36, -1.658480476679365e-37, 4.104809008143728]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.62238820e-11  6.62238820e-11  1.08311053e-10 -1.86274472e-33
 -1.40780750e-45  4.52991814e-27]
energy per atom =  -4.405321834626451
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0