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_LiHuChen_2018_Ni__MO_913991514986_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 15:57:37      -11.525618         1.119713
BFGS:    1 15:57:37      -11.564754         0.848987
BFGS:    2 15:57:37      -11.605922         0.368734
BFGS:    3 15:57:37      -11.607803         0.194114
BFGS:    4 15:57:37      -11.608746         0.121452
BFGS:    5 15:57:37      -11.610124         0.032064
BFGS:    6 15:57:37      -11.610178         0.006914
BFGS:    7 15:57:37      -11.610181         0.000797
BFGS:    8 15:57:37      -11.610181         0.000030
BFGS:    9 15:57:37      -11.610181         0.000001
BFGS:   10 15:57:37      -11.610181         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.7950263682405549e-32 eV/Angstrom
Maximum stress component: 6.843653497688853e-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([[2.4965115462864143, 1.202564357808666e-18, -6.849915042583703e-37], [-1.2482557731432071, 2.162042419925205, -3.287418843390013e-36], [3.7982395822706005e-36, -3.426293331656147e-35, 4.085348365522583]])
forces =  [[ 1.79502637e-32 -1.33246152e-32 -4.19631720e-33]
 [-1.79502637e-32  1.33246152e-32  4.19631720e-33]]
stress =  [-6.65429561e-10 -6.65429561e-10 -6.84365350e-10  3.47810939e-44
  1.48106893e-44 -6.99792220e-26]
energy per atom =  -2.470289023061145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0