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:
SNAP_LiHuChen_2018_NiMo__MO_468686727341_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 15:24:41      -23.117802         0.198374
BFGS:    1 15:24:41      -23.119364         0.169113
BFGS:    2 15:24:41      -23.123631         0.006326
BFGS:    3 15:24:41      -23.123637         0.000209
BFGS:    4 15:24:41      -23.123637         0.000000
BFGS:    5 15:24:41      -23.123637         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0197445444161692e-12 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.27184194e-37]]
cellpar =  Cell([[3.5222107680031205, -3.318164575245685e-35, -1.1434106471142462e-33], [1.775282632406324e-34, 3.5222107680031205, -2.291151069186083e-20], [-1.4268961653337597e-34, -2.291151069186192e-20, 3.5222107680031205]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01974454e-12 -1.01974454e-12 -1.01974454e-12  2.20319368e-28
 -5.17474019e-36  5.60224282e-52]
energy per atom =  -2.8492462348381467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0