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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== 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 15:55:28        1.053204        13.687994
BFGS:    1 15:55:28       -0.577088        15.466743
BFGS:    2 15:55:28       -1.968555        12.180953
BFGS:    3 15:55:28       -2.838458         9.514113
BFGS:    4 15:55:28       -3.264069         6.005097
BFGS:    5 15:55:28       -3.433709         1.293615
BFGS:    6 15:55:28       -3.450467         0.885847
BFGS:    7 15:55:28       -3.487794         0.910267
BFGS:    8 15:55:28       -3.575610         1.021262
BFGS:    9 15:55:28       -3.551514         1.453633
BFGS:   10 15:55:28       -3.597223         0.482871
BFGS:   11 15:55:28       -3.599301         0.210848
BFGS:   12 15:55:28       -3.599586         0.009353
BFGS:   13 15:55:28       -3.599589         0.001363
BFGS:   14 15:55:28       -3.599589         0.000007
BFGS:   15 15:55:28       -3.599589         0.000000
BFGS:   16 15:55:28       -3.599589         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.0249335509186145e-32 eV/Angstrom
Maximum stress component: 5.69369377329353e-12 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([[2.8454499039243655, 7.703493743238686e-19, 1.4481180579730006e-36], [-1.4227249519621827, 2.4642319019944914, 7.153135968431543e-36], [-3.8626119619468376e-35, -2.3924772879060367e-34, 4.598637426335398]])
forces =  [[ 1.16909593e-32  2.02493355e-32  7.06790941e-68]
 [-1.16909593e-32 -2.02493355e-32 -7.06790941e-68]]
stress =  [-1.98620748e-13 -1.98620748e-13  5.69369377e-12 -3.71669919e-46
 -1.23431759e-46 -1.38387350e-29]
energy per atom =  -1.7997942646870098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0