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_AsadiZaeemNouranian_2015_Ni__SM_078420412697_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 14:08:11       -8.785593         1.096136
BFGS:    1 14:08:11       -8.822211         0.879230
BFGS:    2 14:08:11       -8.875450         0.191062
BFGS:    3 14:08:11       -8.876064         0.173879
BFGS:    4 14:08:11       -8.877810         0.008912
BFGS:    5 14:08:11       -8.877816         0.000590
BFGS:    6 14:08:11       -8.877816         0.000001
BFGS:    7 14:08:11       -8.877816         0.000000
Minimization converged after 7 steps.
Maximum force component: 4.087151010868306e-32 eV/Angstrom
Maximum stress component: 4.86594537053643e-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([[2.4869181274322987, 2.867774737517492e-17, -3.5005240907711175e-38], [-1.2434590637161493, 2.1537342754883952, -9.624484571521578e-38], [-1.479000144753395e-36, -1.5556490633092224e-35, 4.0798421643689275]])
forces =  [[-4.08715101e-32  1.76978830e-32 -3.59399969e-70]
 [ 2.04357551e-32 -1.76978830e-32  6.47048574e-70]]
stress =  [ 4.86594537e-10  4.86594537e-10 -4.59501907e-10 -5.11424806e-35
 -8.85813749e-35 -1.17096718e-25]
energy per atom =  -4.438907903160578
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0