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_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_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 00:24:21      -17.794819         0.183861
BFGS:    1 00:24:21      -17.796165         0.157833
BFGS:    2 00:24:21      -17.799998         0.003622
BFGS:    3 00:24:21      -17.800000         0.000074
BFGS:    4 00:24:21      -17.800000         0.000000
BFGS:    5 00:24:21      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.172985210899849e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.40035608e-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([[3.5213917627973617, -2.1264987640085952e-32, 8.537959405686914e-33], [-2.333546385470345e-33, 3.5213917627973617, 2.8742300742821474e-18], [1.7242977445735073e-32, 2.8742300742821327e-18, 3.5213917627973617]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.17298521e-14 -3.17298521e-14 -3.17298521e-14  1.54057865e-29
 -7.76572133e-36  1.95822166e-51]
energy per atom =  -4.4500000002363915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0