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_ChoiKimSeol_2017_NiMn__MO_348689608050_002
==== 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 17:10:20      -17.794798        0.1848
BFGS:    1 17:10:21      -17.796157        0.1585
BFGS:    2 17:10:21      -17.799997        0.0042
BFGS:    3 17:10:21      -17.800000        0.0001
BFGS:    4 17:10:21      -17.800000        0.0000
BFGS:    5 17:10:21      -17.800000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.678575715015089e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.45729547e-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([[3.5213917585311276, -6.0165248656040545e-34, 1.1401579262662181e-34], [-2.8086693586193774e-33, 3.5213917585311276, 1.1445922965596637e-20], [-1.9571792918302607e-34, 1.1445922965596534e-20, 3.5213917585311276]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.67857572e-14 -8.67857572e-14 -8.67857572e-14 -5.49945126e-31
 -3.88286067e-36 -2.50858591e-53]
energy per atom =  -4.4500000000368365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0