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 15:05:58       -8.791403        1.0460
BFGS:    1 15:05:58       -8.825510        0.8483
BFGS:    2 15:05:58       -8.877288        0.2006
BFGS:    3 15:05:58       -8.877905        0.1754
BFGS:    4 15:05:58       -8.880051        0.0070
BFGS:    5 15:05:58       -8.880055        0.0011
BFGS:    6 15:05:58       -8.880055        0.0000
BFGS:    7 15:05:58       -8.880055        0.0000
Minimization converged after 7 steps.
Maximum force component: 3.355243496046571e-32 eV/Angstrom
Maximum stress component: 3.223515015219555e-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([[2.486504683590787, 2.6762999443697433e-17, -3.7829412556845494e-36], [-1.2432523417953936, 2.153376222618608, 1.3069754290056658e-35], [-3.6298212355520244e-36, 1.3121948929146318e-35, 4.083145374408287]])
forces =  [[-1.53242682e-32  8.84747040e-33  3.35524350e-32]
 [ 1.53242682e-32 -8.84747040e-33 -3.35524350e-32]]
stress =  [-1.59493397e-11 -1.59493397e-11 -3.22351502e-11 -2.07268900e-45
 -8.56943284e-46 -3.73306515e-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