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:
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
==== 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 16:07:21       -9.050822         7.046901
BFGS:    1 16:07:21       -9.931925         4.783925
BFGS:    2 16:07:21      -10.508576         2.973006
BFGS:    3 16:07:21      -10.842419         1.534360
BFGS:    4 16:07:21      -10.984153         0.401459
BFGS:    5 16:07:21      -10.996353         0.062639
BFGS:    6 16:07:21      -10.996676         0.003259
BFGS:    7 16:07:21      -10.996677         0.000029
BFGS:    8 16:07:21      -10.996677         0.000000
BFGS:    9 16:07:21      -10.996677         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.857478718053998e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0923200230273054, 2.743035047380111e-33, 2.0768974914383487e-33], [2.8195814187313998e-33, 3.0923200230273054, 2.680006849867269e-19], [2.8283653980872278e-33, 2.680006849867273e-19, 3.0923200230273054]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.85747872e-15 -3.85747872e-15 -3.85747872e-15 -3.44320176e-31
  1.07416339e-34  1.89502013e-50]
energy per atom =  -5.498338671431523
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0