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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_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 15:04:52       -8.766970        1.0519
BFGS:    1 15:04:52       -8.797939        0.8743
BFGS:    2 15:04:53       -8.853006        0.1587
BFGS:    3 15:04:53       -8.854472        0.1474
BFGS:    4 15:04:53       -8.854773        0.1264
BFGS:    5 15:04:53       -8.855731        0.0029
BFGS:    6 15:04:53       -8.855732        0.0002
BFGS:    7 15:04:53       -8.855732        0.0000
BFGS:    8 15:04:53       -8.855732        0.0000
BFGS:    9 15:04:53       -8.855732        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.745353543677772e-32 eV/Angstrom
Maximum stress component: 6.100171146074802e-11 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([[2.481966153274714, 1.415523162019943e-17, 1.8056779455926363e-36], [-1.240983076637357, 2.1494457400690443, -1.0096964695317957e-35], [-1.274342278925018e-35, -4.677892235486641e-35, 4.104360704829476]])
forces =  [[-5.09876580e-33 -4.41566071e-33 -6.74535354e-32]
 [ 2.54938290e-33  4.41566071e-33  6.74535354e-32]]
stress =  [-6.10017115e-11 -6.10017115e-11  3.77827330e-11 -4.36614821e-34
  5.04159369e-35  3.46265122e-26]
energy per atom =  -4.427865813080998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0