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 16:04:41       -9.978163        18.906931
BFGS:    1 16:04:41      -12.028976         9.152185
BFGS:    2 16:04:41      -12.871224         3.247136
BFGS:    3 16:04:41      -13.030127         0.951862
BFGS:    4 16:04:41      -13.047550         0.147829
BFGS:    5 16:04:41      -13.048011         0.008920
BFGS:    6 16:04:41      -13.048013         0.000091
BFGS:    7 16:04:41      -13.048013         0.000000
BFGS:    8 16:04:41      -13.048013         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.538164982604213e-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, 1.719574991099903e-32, 2.2047729819355674e-33], [3.338602703037964e-32, 4.424755950646851, -1.0701454678872104e-18], [2.72492580272886e-32, -1.0701454678872495e-18, 4.424755950646851]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.53816498e-15 -9.53816498e-15 -9.53816498e-15 -1.82546392e-30
  0.00000000e+00 -5.51217708e-63]
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