element(s):
['Ni']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7844']
model name:
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:20:59       -8.533836         0.044412
BFGS:    1 16:20:59       -8.533909         0.032509
BFGS:    2 16:20:59       -8.533994         0.000196
BFGS:    3 16:20:59       -8.533994         0.000001
BFGS:    4 16:20:59       -8.533994         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2065937665147974e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.787710542629828, -1.1025155356390637e-33, -2.4233315639406958e-33], [4.418534750294363e-33, 2.787710542629828, -3.306687091277451e-21], [-3.6964477957184e-33, -3.306687091276706e-21, 2.787710542629828]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.20659377e-12 -2.20659377e-12 -2.20659377e-12 -5.27727458e-28
  5.28693353e-34  2.60254131e-49]
energy per atom =  -4.266996871090236
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0