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_Buckingham_FisherMatsubara_2005_NiO__SM_337243826931_000
==== 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     -150.697103       10.8739
BFGS:    1 17:11:32     -148.836637       10.1166
BFGS:    2 17:11:32     -147.021543        9.4098
BFGS:    3 17:11:32     -145.250173        8.7499
BFGS:    4 17:11:32     -143.521000        8.1333
BFGS:    5 17:11:32     -141.832507        7.5569
BFGS:    6 17:11:32     -140.183286        7.0178
BFGS:    7 17:11:32     -138.572189        6.5129
BFGS:    8 17:11:32     -136.997456        6.0406
BFGS:    9 17:11:32     -135.458137        5.5982
BFGS:   10 17:11:32     -133.953014        5.1836
BFGS:   11 17:11:32     -132.480967        4.7948
BFGS:   12 17:11:32     -131.040918        4.4302
BFGS:   13 17:11:32     -129.631852        4.0880
BFGS:   14 17:11:32     -128.252770        3.7667
BFGS:   15 17:11:32     -126.902729        3.4650
BFGS:   16 17:11:32     -125.580851        3.1816
BFGS:   17 17:11:32     -124.286350        2.9149
BFGS:   18 17:11:33     -123.018077        2.6645
BFGS:   19 17:11:33     -121.775448        2.4290
BFGS:   20 17:11:33     -120.557653        2.2075
BFGS:   21 17:11:33     -119.363977        1.9990
BFGS:   22 17:11:33     -118.193747        1.8028
BFGS:   23 17:11:33     -117.046192        1.6180
BFGS:   24 17:11:33     -115.920735        1.4440
BFGS:   25 17:11:33     -114.816720        1.2801
BFGS:   26 17:11:33     -113.733641        0.6448
BFGS:   27 17:11:33     -112.670706        0.5076
BFGS:   28 17:11:33     -111.627358        0.7567
BFGS:   29 17:11:33     -110.603246        0.6294
BFGS:   30 17:11:33     -109.597755        0.5095
BFGS:   31 17:11:33     -108.610497        0.0369
BFGS:   32 17:11:33     -108.534051        0.4682
BFGS:   33 17:11:33     -108.451554        0.0201
BFGS:   34 17:11:33     -108.447850        0.0197
BFGS:   35 17:11:33     -108.260924        0.0001
BFGS:   36 17:11:33     -108.259513        0.0000
BFGS:   37 17:11:33     -108.259504        0.0000
BFGS:   38 17:11:33     -108.259504        0.0000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.026398923225419e-10 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 9.47435676e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.878676180751566, -2.4051131932338677e-32, 3.2477425209217847e-34], [-2.4516133168910718e-32, 4.878676180751567, -1.759700238392284e-17], [-9.915418474430116e-34, -1.7597002383922836e-17, 4.878676180751567]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.02639892e-10 -4.02639892e-10 -4.02639892e-10 -5.15305619e-28
  7.55219641e-35 -3.26299498e-52]
energy per atom =  -27.064875926480344
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0