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 15:05:38      -11.460302        1.0563
BFGS:    1 15:05:38      -11.493371        0.8413
BFGS:    2 15:05:38      -11.540584        0.2408
BFGS:    3 15:05:38      -11.541330        0.1755
BFGS:    4 15:05:38      -11.542693        0.0649
BFGS:    5 15:05:38      -11.543163        0.0272
BFGS:    6 15:05:38      -11.543205        0.0049
BFGS:    7 15:05:38      -11.543206        0.0007
BFGS:    8 15:05:38      -11.543206        0.0000
BFGS:    9 15:05:38      -11.543206        0.0000
BFGS:   10 15:05:38      -11.543206        0.0000
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, 1.46485753625107e-17, 3.4114984999462425e-37], [-1.2454294643727943, 2.157147109536972, 1.8179677723084833e-37], [1.4286146350646982e-37, 8.851443649356768e-37, 4.092205323710714]])
forces =  [[-2.39860990e-33 -2.76967614e-34 -3.73758237e-70]
 [ 2.39860990e-33  2.76967614e-34  3.73758237e-70]]
stress =  [-6.14405061e-10 -6.14405061e-10 -6.63475584e-10 -9.30876402e-34
 -1.61232522e-33  9.25542340e-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