element(s):
['Nd']
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:
['5.1799']
model name:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nd']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.1799, 0, 0], [0, 5.1799, 0], [0, 0, 5.1799]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:36:49      -13.439920         0.017866
BFGS:    1 21:36:49      -13.439933         0.016348
BFGS:    2 21:36:49      -13.440000         0.000057
BFGS:    3 21:36:49      -13.440000         0.000000
BFGS:    4 21:36:49      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.776610016445237e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nd', 'Nd', 'Nd', 'Nd']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.176021634984471, 9.537850704309328e-33, 3.8035210632501613e-34], [6.561138343012033e-33, 5.176021634984471, -4.088614062955745e-21], [-3.5534289374821882e-34, -4.0886140629533904e-21, 5.176021634984471]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.77661002e-14  5.77661002e-14  5.77661002e-14 -2.90101645e-33
  4.79244415e-36  9.40385691e-56]
energy per atom =  -3.3600000001244714
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0