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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_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 15:07:54       -8.766970         1.051943
BFGS:    1 15:07:55       -8.797939         0.874319
BFGS:    2 15:07:55       -8.853006         0.158704
BFGS:    3 15:07:55       -8.854472         0.147354
BFGS:    4 15:07:55       -8.854773         0.126406
BFGS:    5 15:07:55       -8.855731         0.002909
BFGS:    6 15:07:55       -8.855732         0.000202
BFGS:    7 15:07:55       -8.855732         0.000006
BFGS:    8 15:07:55       -8.855732         0.000000
BFGS:    9 15:07:55       -8.855732         0.000000
Minimization converged after 9 steps.
Maximum force component: 7.648148696875796e-33 eV/Angstrom
Maximum stress component: 6.10014210218224e-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([[2.4819661532747146, 1.618839847884868e-17, -1.5795755135978583e-37], [-1.2409830766373573, 2.1494457400690443, -2.119094289517828e-37], [5.191911619394556e-37, -1.7220209874281888e-35, 4.1043607048294755]])
forces =  [[ 7.64814870e-33 -4.41566071e-33  1.10834706e-70]
 [-7.64814870e-33  4.41566071e-33 -1.10834706e-70]]
stress =  [-6.10014210e-11 -6.10014210e-11  3.77825797e-11  4.22060994e-34
 -7.56239053e-35  5.74554626e-27]
energy per atom =  -4.427865813080998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0