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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
==== 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 16:33:26      -17.770628         0.131270
BFGS:    1 16:33:26      -17.771320         0.114758
BFGS:    2 16:33:26      -17.773535         0.002096
BFGS:    3 16:33:26      -17.773536         0.000033
BFGS:    4 16:33:26      -17.773536         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.464100708142453e-10 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([[3.491938542026166, -1.398436999325505e-33, -1.0581868556587285e-33], [-1.3246960578120255e-33, 3.491938542026166, -1.584869391953735e-21], [-2.8975741010273396e-33, -1.5848693919509772e-21, 3.491938542026166]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.46410071e-10 8.46410071e-10 8.46410071e-10 2.14886216e-25
 1.84269769e-35 5.22636512e-51]
energy per atom =  -4.4433839456686295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0