element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
model name:
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:04      -17.905150         1.041256
BFGS:    1 15:30:04      -17.946959         0.826964
BFGS:    2 15:30:04      -18.004503         0.109008
BFGS:    3 15:30:04      -18.005326         0.014198
BFGS:    4 15:30:04      -18.005341         0.000159
BFGS:    5 15:30:04      -18.005341         0.000000
BFGS:    6 15:30:04      -18.005341         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8885363224790574e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.45246417709413, 1.3674766346282351e-33, -2.0299239347858902e-33], [-1.3392511531630873e-33, 3.45246417709413, -4.449235359029131e-20], [-8.276084406929232e-34, -4.449235359029996e-20, 3.45246417709413]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.88853632e-13  3.88853632e-13  3.88853632e-13 -2.62156100e-28
  2.01972451e-36 -6.81306143e-52]
energy per atom =  -4.501335164059687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0