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 15:05:58       -8.785593        1.0961
BFGS:    1 15:05:58       -8.822211        0.8792
BFGS:    2 15:05:58       -8.875450        0.1911
BFGS:    3 15:05:58       -8.876064        0.1739
BFGS:    4 15:05:58       -8.877810        0.0089
BFGS:    5 15:05:58       -8.877816        0.0006
BFGS:    6 15:05:58       -8.877816        0.0000
BFGS:    7 15:05:58       -8.877816        0.0000
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, 2.6607127027881498e-17, -4.018620357167361e-36], [-1.2434590637161493, 2.1537342754883952, -9.841657277379502e-36], [-2.470068443170492e-37, -1.397791931851214e-37, 4.0798421643689275]])
forces =  [[-4.08715101e-32  1.76978830e-32 -3.13385409e-68]
 [ 2.04357551e-32 -1.76978830e-32  6.43607544e-68]]
stress =  [ 4.86594537e-10  4.86594537e-10 -4.59501907e-10  7.30606866e-35
 -7.59268927e-35 -1.00403651e-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