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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
==== 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 17:10:38      -16.956392        0.1981
BFGS:    1 17:10:38      -16.957955        0.1699
BFGS:    2 17:10:38      -16.962384        0.0046
BFGS:    3 17:10:38      -16.962387        0.0001
BFGS:    4 17:10:38      -16.962387        0.0000
BFGS:    5 17:10:38      -16.962387        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1314462188178698e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.76948295e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.54263685e-37]]
cellpar =  Cell([[3.5226424717458285, 1.521960840235231e-32, -8.698694954060856e-33], [1.5219446544490312e-32, 3.5226424717458285, -3.589713119650046e-20], [8.716087611252358e-33, -3.5897131196509634e-20, 3.5226424717458285]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.13144622e-13 -1.13144622e-13 -1.13144622e-13 -5.31041069e-33
  4.13877754e-34 -1.54952545e-53]
energy per atom =  -4.240596781850951
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0