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:
Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_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 15:07:55       -8.766399         1.085883
BFGS:    1 15:07:55       -8.801482         0.881548
BFGS:    2 15:07:55       -8.855961         0.179774
BFGS:    3 15:07:55       -8.856907         0.198286
BFGS:    4 15:07:55       -8.858106         0.151921
BFGS:    5 15:07:55       -8.858917         0.050881
BFGS:    6 15:07:55       -8.859044         0.010461
BFGS:    7 15:07:55       -8.859051         0.000706
BFGS:    8 15:07:55       -8.859051         0.000053
BFGS:    9 15:07:55       -8.859051         0.000002
BFGS:   10 15:07:55       -8.859051         0.000000
BFGS:   11 15:07:55       -8.859051         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.2317911023913117e-32 eV/Angstrom
Maximum stress component: 1.1097401012544604e-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([[2.4831689849683687, -1.3858081243780681e-17, -2.2912485805992276e-37], [-1.2415844924841843, 2.150487422872226, -2.205453471395163e-37], [3.0258532229474797e-37, 5.168464803785131e-36, 4.09068736197976]])
forces =  [[-2.23179110e-32  3.31335050e-33  1.54298404e-69]
 [ 2.23179110e-32 -3.31335050e-33 -1.54298404e-69]]
stress =  [ 1.10974010e-11  1.10974010e-11 -3.60026655e-12  1.10925047e-33
  3.03359712e-34 -2.62643102e-27]
energy per atom =  -4.4295256093068165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0