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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 15:04:44       -8.741164         1.319665
BFGS:    1 15:04:44       -8.790254         1.026900
BFGS:    2 15:04:44       -8.856823         0.160868
BFGS:    3 15:04:44       -8.858836         0.053550
BFGS:    4 15:04:44       -8.858881         0.048320
BFGS:    5 15:04:44       -8.859120         0.006197
BFGS:    6 15:04:44       -8.859123         0.000802
BFGS:    7 15:04:44       -8.859123         0.000014
BFGS:    8 15:04:44       -8.859123         0.000000
BFGS:    9 15:04:44       -8.859123         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.591074621344318e-32 eV/Angstrom
Maximum stress component: 7.272409779875818e-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([[2.4831481597609457, -1.7729235468342124e-17, -1.2007329294500808e-36], [-1.2415740798804729, 2.1504693877135583, -1.6289001384824845e-36], [-9.831622769300559e-36, -1.2032193938523914e-35, 4.019864608651666]])
forces =  [[-4.59107462e-32  8.83552723e-33 -7.52166346e-52]
 [ 4.59107462e-32 -8.83552723e-33 -1.30409866e-68]]
stress =  [ 6.82026876e-11  6.82026876e-11  7.27240978e-11 -1.48526701e-34
 -5.14511586e-35  1.96273842e-27]
energy per atom =  -4.429561463601117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0