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_MendelevKramerHao_2012_Ni__MO_832600236922_005
==== 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 10:53:30       -8.652670         0.713439
BFGS:    1 10:53:30       -8.665649         0.566684
BFGS:    2 10:53:30       -8.698833         0.295702
BFGS:    3 10:53:30       -8.701228         0.296303
BFGS:    4 10:53:30       -8.706594         0.043127
BFGS:    5 10:53:30       -8.706723         0.015095
BFGS:    6 10:53:30       -8.706727         0.014655
BFGS:    7 10:53:30       -8.706736         0.010712
BFGS:    8 10:53:30       -8.706742         0.004784
BFGS:    9 10:53:30       -8.706745         0.001833
BFGS:   10 10:53:30       -8.706745         0.000243
BFGS:   11 10:53:30       -8.706745         0.000022
BFGS:   12 10:53:31       -8.706745         0.000001
BFGS:   13 10:53:31       -8.706745         0.000000
BFGS:   14 10:53:31       -8.706745         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.5320457605788647e-32 eV/Angstrom
Maximum stress component: 1.9875384974698263e-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([[2.4858863718078874, 8.517098085185379e-18, 3.831101481539223e-37], [-1.2429431859039437, 2.1528407489071575, 9.456848095349679e-37], [-1.6769080249420804e-37, 2.321021440501887e-36, 4.120416098647085]])
forces =  [[-1.53204576e-32  8.84527032e-33  2.31142269e-69]
 [ 1.53204576e-32 -8.84527032e-33 -2.31142269e-69]]
stress =  [ 1.98753850e-11  1.98753850e-11 -7.37537226e-12 -2.31588094e-34
  4.01122346e-34  1.16532144e-26]
energy per atom =  -4.353372390153478
===============================================