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_KimJungLee_2015_NiAlCo__MO_876687166519_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 14:06:45       -8.766375         1.086112
BFGS:    1 14:06:45       -8.801461         0.884100
BFGS:    2 14:06:45       -8.855603         0.195637
BFGS:    3 14:06:45       -8.856505         0.202194
BFGS:    4 14:06:45       -8.857990         0.128781
BFGS:    5 14:06:45       -8.858557         0.036755
BFGS:    6 14:06:46       -8.858629         0.005401
BFGS:    7 14:06:46       -8.858631         0.000293
BFGS:    8 14:06:46       -8.858631         0.000022
BFGS:    9 14:06:46       -8.858631         0.000001
BFGS:   10 14:06:46       -8.858631         0.000000
Minimization converged after 10 steps.
Maximum force component: 6.724091574142984e-32 eV/Angstrom
Maximum stress component: 5.552032804002403e-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([[2.4843924266429323, 1.6173979519108744e-17, -8.183607896878571e-36], [-1.2421962133214661, 2.1515469544424466, -9.193882033186237e-38], [6.521132949768585e-36, -3.316269875561291e-35, 4.091423385576928]])
forces =  [[-2.55187508e-33  1.10499432e-33  6.72409157e-32]
 [-1.07172226e-67  5.45015762e-67 -6.72409157e-32]]
stress =  [ 5.55203280e-10  5.55203280e-10  3.15713525e-10 -3.64639729e-36
 -6.31574536e-36  1.36989666e-25]
energy per atom =  -4.429315304529349
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0