element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
model name:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:11:33      -17.794846        0.1831
BFGS:    1 17:11:33      -17.796181        0.1572
BFGS:    2 17:11:33      -17.799997        0.0041
BFGS:    3 17:11:33      -17.800000        0.0001
BFGS:    4 17:11:33      -17.800000        0.0000
BFGS:    5 17:11:33      -17.800000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.380752225572218e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.521391741330034, 4.694327196069061e-33, 4.25554084427391e-33], [4.375434494716828e-33, 3.521391741330034, 2.7195881833767656e-20], [4.028541360126145e-33, 2.71958818337681e-20, 3.521391741330034]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.38075223e-14 -8.38075223e-14 -8.38075223e-14 -3.25852225e-30
  4.14171809e-35  6.76934719e-51]
energy per atom =  -4.450000000475033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0