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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:06:38      -20.938523       19.6146
BFGS:    1 17:06:38      -23.443927       14.0180
BFGS:    2 17:06:38      -25.194996        9.4970
BFGS:    3 17:06:38      -26.338380        5.8843
BFGS:    4 17:06:38      -26.997187        3.0106
BFGS:    5 17:06:38      -27.271593        0.7383
BFGS:    6 17:06:38      -27.292066        0.1101
BFGS:    7 17:06:38      -27.292557        0.0050
BFGS:    8 17:06:38      -27.292558        0.0000
BFGS:    9 17:06:38      -27.292558        0.0000
BFGS:   10 17:06:38      -27.292558        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.168542348102641e-16 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([[5.528547924850526, 1.889520616130378e-32, -7.373606695855653e-35], [1.9268332371782727e-32, 5.528547924850526, 1.3427712313389286e-19], [-6.428989830812175e-33, 1.3427712313390608e-19, 5.528547924850526]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.16854235e-16 -5.16854235e-16 -5.16854235e-16  5.42448446e-32
 -1.34424072e-34  1.00377534e-50]
energy per atom =  -6.823139557022031
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0