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:
MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_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 10:54:57       -8.786803         1.105035
BFGS:    1 10:54:57       -8.824681         0.886857
BFGS:    2 10:54:57       -8.879277         0.196979
BFGS:    3 10:54:57       -8.879949         0.181503
BFGS:    4 10:54:57       -8.881903         0.014241
BFGS:    5 10:54:57       -8.881916         0.001260
BFGS:    6 10:54:57       -8.881916         0.000006
BFGS:    7 10:54:57       -8.881916         0.000000
BFGS:    8 10:54:57       -8.881916         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.1490111308141321e-32 eV/Angstrom
Maximum stress component: 5.533539322874091e-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([[2.48583620206157, -7.179805364166154e-18, -1.417809491556771e-38], [-1.242918101030785, 2.152797300632345, -3.929157367048859e-36], [-1.0193240225285719e-36, 2.735636666959815e-36, 4.077528788091922]])
forces =  [[-1.27667903e-33 -1.10563648e-32  2.02231078e-68]
 [-1.14901113e-32  6.63381886e-33 -1.20639613e-68]]
stress =  [-5.08432442e-13 -5.08432442e-13 -5.53353932e-13  3.27640114e-33
 -8.24776448e-49  3.63991963e-28]
energy per atom =  -4.44095807718797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0