element(s):
['Nd']
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:
['4.144']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nd']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.144, 0, 0], [0, 4.144, 0], [0, 0, 4.144]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:02:59       -9.978163       18.9069
BFGS:    1 18:02:59      -12.028976        9.1522
BFGS:    2 18:02:59      -12.871224        3.2471
BFGS:    3 18:02:59      -13.030127        0.9519
BFGS:    4 18:02:59      -13.047550        0.1478
BFGS:    5 18:02:59      -13.048011        0.0089
BFGS:    6 18:02:59      -13.048013        0.0001
BFGS:    7 18:02:59      -13.048013        0.0000
BFGS:    8 18:02:59      -13.048013        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.53816498260421e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nd', 'Nd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.424755950646851, -5.561183169402796e-33, 7.707893395390123e-33], [-1.21181958713784e-32, 4.424755950646851, -1.0656839142886421e-18], [-2.603672982803238e-33, -1.0656839142886335e-18, 4.424755950646851]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.53816498e-15 -9.53816498e-15 -9.53816498e-15  8.49201696e-32
  1.04927800e-34 -1.45945450e-51]
energy per atom =  -6.524006261937388
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0