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_MaiselKoZhang_2017_VNiTi__MO_744610363128_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 15:24:24      -17.794846         0.183108
BFGS:    1 15:24:24      -17.796181         0.157216
BFGS:    2 15:24:24      -17.799997         0.004115
BFGS:    3 15:24:24      -17.800000         0.000096
BFGS:    4 15:24:24      -17.800000         0.000000
BFGS:    5 15:24:24      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.423767137597954e-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 3.41826841e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5213917413300537, 5.213931810581487e-33, -4.61837379523899e-34], [5.542825155354561e-33, 3.5213917413300537, -7.960525475342415e-20], [2.445696027463903e-33, -7.960525475342166e-20, 3.5213917413300537]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.42376714e-14 -8.42376714e-14 -8.42376714e-14  7.00259744e-30
  6.62674895e-34 -4.66884345e-50]
energy per atom =  -4.450000000475033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0