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 15:56:50       -8.786803         1.105035
BFGS:    1 15:56:50       -8.824681         0.886857
BFGS:    2 15:56:50       -8.879277         0.196979
BFGS:    3 15:56:50       -8.879949         0.181503
BFGS:    4 15:56:50       -8.881903         0.014241
BFGS:    5 15:56:50       -8.881916         0.001260
BFGS:    6 15:56:50       -8.881916         0.000006
BFGS:    7 15:56:50       -8.881916         0.000000
BFGS:    8 15:56:50       -8.881916         0.000000
Minimization converged after 8 steps.
Maximum force component: 6.701256355914432e-32 eV/Angstrom
Maximum stress component: 5.554281587609308e-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([[2.485836202061566, 9.922572312533324e-19, -1.7801794697492594e-40], [-1.242918101030783, 2.152797300632343, -3.0616057418523176e-38], [1.1856084275423065e-36, 5.903760861412534e-36, 4.077528788091921]])
forces =  [[-5.10671614e-33  2.21127295e-33  6.70125636e-32]
 [ 2.55335807e-33  6.63381886e-33 -6.70125636e-32]]
stress =  [-5.11700388e-13 -5.11700388e-13 -5.55428159e-13  2.63282235e-34
  5.06686897e-35 -2.73915347e-29]
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