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:
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_001
==== 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 15:07:53       -8.786803         1.105035
BFGS:    1 15:07:53       -8.824681         0.886857
BFGS:    2 15:07:53       -8.879277         0.196979
BFGS:    3 15:07:53       -8.879949         0.181503
BFGS:    4 15:07:53       -8.881903         0.014241
BFGS:    5 15:07:53       -8.881916         0.001260
BFGS:    6 15:07:53       -8.881916         0.000006
BFGS:    7 15:07:53       -8.881916         0.000000
BFGS:    8 15:07:53       -8.881916         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.596044523256523e-32 eV/Angstrom
Maximum stress component: 5.544551002484893e-13 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([[2.485836202061567, 5.7537402762382275e-18, 7.000654530013298e-38], [-1.2429181010307835, 2.152797300632343, -3.6846695940695696e-37], [-1.1832842408462405e-36, -8.243728196050317e-36, 4.077528788091922]])
forces =  [[-4.59604452e-32  4.42254590e-32 -8.14477473e-69]
 [ 4.59604452e-32 -4.42254590e-32  8.14477473e-69]]
stress =  [-5.10988561e-13 -5.10988561e-13 -5.54455100e-13  7.02085959e-34
  6.33406753e-49  3.95684328e-31]
energy per atom =  -4.440958077187973
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0