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:
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_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 17:11:32      -17.795620        0.1696
BFGS:    1 17:11:32      -17.796764        0.1454
BFGS:    2 17:11:32      -17.799999        0.0031
BFGS:    3 17:11:32      -17.800000        0.0001
BFGS:    4 17:11:32      -17.800000        0.0000
BFGS:    5 17:11:32      -17.800000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7101280053440184e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.70980997e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5199999938679425, -3.108714115680462e-33, -4.597857542760196e-33], [-1.480971383971239e-34, 3.5199999938679425, -6.134953515331436e-20], [6.790269491731913e-34, -6.134953515332005e-20, 3.5199999938679425]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.71012801e-14 -1.71012801e-14 -1.71012801e-14 -1.30756628e-29
  6.21749080e-34  3.15654983e-49]
energy per atom =  -4.4500000001077495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0