element(s):
['Ni']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.582', '1.5943455']
model name:
SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:08:41      -11.460302         1.056348
BFGS:    1 15:08:41      -11.493371         0.841345
BFGS:    2 15:08:41      -11.540584         0.240801
BFGS:    3 15:08:41      -11.541330         0.175498
BFGS:    4 15:08:41      -11.542693         0.064872
BFGS:    5 15:08:41      -11.543163         0.027172
BFGS:    6 15:08:41      -11.543205         0.004939
BFGS:    7 15:08:41      -11.543206         0.000676
BFGS:    8 15:08:41      -11.543206         0.000021
BFGS:    9 15:08:41      -11.543206         0.000001
BFGS:   10 15:08:41      -11.543206         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.3986098990577206e-33 eV/Angstrom
Maximum stress component: 6.634755842318045e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4908589287455887, 5.4924646108290845e-19, 1.4255544226104309e-37], [-1.2454294643727943, 2.157147109536972, 4.085047917243255e-38], [-4.075580383283626e-37, 1.2948476013365604e-36, 4.092205323710714]])
forces =  [[-2.39860990e-33 -2.76967614e-34 -1.51672635e-70]
 [ 2.39860990e-33  2.76967614e-34  1.51672635e-70]]
stress =  [-6.14405061e-10 -6.14405061e-10 -6.63475584e-10 -4.65438201e-34
 -8.06162612e-34  8.86331384e-26]
energy per atom =  -5.794302331502831
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0