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_Foiles_1985_Ni__MO_010059867259_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 14:04:56       -8.800373         1.040117
BFGS:    1 14:04:56       -8.833384         0.841020
BFGS:    2 14:04:56       -8.889133         0.100205
BFGS:    3 14:04:56       -8.889630         0.068950
BFGS:    4 14:04:56       -8.889697         0.048829
BFGS:    5 14:04:56       -8.889770         0.022252
BFGS:    6 14:04:56       -8.889818         0.012119
BFGS:    7 14:04:56       -8.889828         0.003207
BFGS:    8 14:04:56       -8.889829         0.000568
BFGS:    9 14:04:56       -8.889829         0.000036
BFGS:   10 14:04:56       -8.889829         0.000001
BFGS:   11 14:04:56       -8.889829         0.000000
BFGS:   12 14:04:56       -8.889829         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.655060757713974e-32 eV/Angstrom
Maximum stress component: 4.712891837008729e-11 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([[2.489282115805254, 7.360848831636517e-19, -9.75609987448618e-38], [-1.244641057902627, 2.155781549473627, -3.853471015993949e-36], [1.1384620377228432e-36, -1.1515543754284903e-35, 4.049420046754299]])
forces =  [[-1.87101707e-68  1.89253381e-67 -6.65506076e-32]
 [ 1.87101707e-68 -1.89253381e-67  6.65506076e-32]]
stress =  [-4.71289184e-11 -4.71289184e-11 -2.88748659e-11 -2.82392317e-33
 -1.63039280e-33  3.31282584e-27]
energy per atom =  -4.444914356796359
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0