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_ShimKoKim_2013_NiVH__MO_612225165948_002
==== 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 21:36:18       -8.766375         1.086111
BFGS:    1 21:36:18       -8.801461         0.884100
BFGS:    2 21:36:18       -8.855603         0.195636
BFGS:    3 21:36:18       -8.856505         0.202194
BFGS:    4 21:36:18       -8.857990         0.128781
BFGS:    5 21:36:18       -8.858557         0.036755
BFGS:    6 21:36:18       -8.858629         0.005402
BFGS:    7 21:36:18       -8.858631         0.000293
BFGS:    8 21:36:18       -8.858631         0.000022
BFGS:    9 21:36:18       -8.858631         0.000001
BFGS:   10 21:36:18       -8.858631         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.5311250416095693e-32 eV/Angstrom
Maximum stress component: 5.543891764519156e-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([[2.4843924198666794, 7.552842907031078e-18, 3.6216429275960324e-37], [-1.2421962099333397, 2.151546948574039, 2.1501868592594707e-35], [-2.4632824439213717e-36, 2.2452681275242926e-35, 4.091423480918879]])
forces =  [[-1.53112504e-32  8.83995455e-33  8.68556577e-68]
 [ 1.53112504e-32 -8.83995455e-33 -8.68556577e-68]]
stress =  [ 5.54389176e-10  5.54389176e-10  3.15330788e-10 -2.33369421e-33
 -8.08415388e-34 -5.76269315e-26]
energy per atom =  -4.429315304820689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0