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:
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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 15:23:36      -17.794846         0.183108
BFGS:    1 15:23:36      -17.796181         0.157216
BFGS:    2 15:23:36      -17.799997         0.004115
BFGS:    3 15:23:36      -17.800000         0.000096
BFGS:    4 15:23:36      -17.800000         0.000000
BFGS:    5 15:23:36      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.398884403766896e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.18594321e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5213917413300337, 2.375819216399767e-39, 8.191716391005854e-35], [-8.75190866744215e-34, 3.5213917413300337, -4.575358298436864e-20], [-7.691251223994279e-33, -4.575358298435027e-20, 3.5213917413300337]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.39888440e-14 -8.39888440e-14 -8.39888440e-14 -5.78534217e-29
  8.19645057e-62  1.71209945e-63]
energy per atom =  -4.450000000475037
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0