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_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== 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 15:07:53       -8.791403         1.046036
BFGS:    1 15:07:53       -8.825510         0.848266
BFGS:    2 15:07:53       -8.877288         0.200596
BFGS:    3 15:07:53       -8.877905         0.175397
BFGS:    4 15:07:53       -8.880051         0.006994
BFGS:    5 15:07:53       -8.880055         0.001103
BFGS:    6 15:07:53       -8.880055         0.000001
BFGS:    7 15:07:53       -8.880055         0.000000
Minimization converged after 7 steps.
Maximum force component: 5.1080894154523785e-33 eV/Angstrom
Maximum stress component: 3.223562446648e-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([[2.4865046835907867, 1.5362214207943688e-17, 8.157630823561251e-38], [-1.2432523417953933, 2.1533762226186077, 4.949283276553055e-36], [3.157046131376899e-38, -6.666030459253204e-36, 4.083145374408287]])
forces =  [[-5.10808942e-33 -3.15589849e-50 -1.67584272e-70]
 [-5.10808942e-33 -3.15589849e-50 -1.67584272e-70]]
stress =  [-1.59502119e-11 -1.59502119e-11 -3.22356245e-11 -1.16821952e-33
  1.21404933e-33 -1.90657658e-27]
energy per atom =  -4.440027470228069
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0