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_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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 20:43:56       -8.791403         1.046036
BFGS:    1 20:43:56       -8.825510         0.848266
BFGS:    2 20:43:56       -8.877288         0.200596
BFGS:    3 20:43:56       -8.877905         0.175397
BFGS:    4 20:43:56       -8.880051         0.006994
BFGS:    5 20:43:56       -8.880055         0.001103
BFGS:    6 20:43:56       -8.880055         0.000001
BFGS:    7 20:43:56       -8.880055         0.000000
Minimization converged after 7 steps.
Maximum force component: 6.635602797876246e-33 eV/Angstrom
Maximum stress component: 3.2238608812672906e-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([[2.4865046835907876, 1.8394101274565486e-17, 3.8057346994874056e-36], [-1.2432523417953938, 2.153376222618609, -4.083889747924224e-37], [-2.542523395749094e-37, -5.323286786615732e-37, 4.0831453744082795]])
forces =  [[ 6.38511177e-33  2.21186760e-33  1.13078436e-68]
 [-1.27702235e-33 -6.63560280e-33 -6.55977129e-69]]
stress =  [-1.59499593e-11 -1.59499593e-11 -3.22386088e-11 -1.16821952e-33
 -4.04683112e-34  9.65468566e-28]
energy per atom =  -4.440027470228072
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0