element(s):
['Hf']
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:
['4.4761']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.4761, 0, 0], [0, 4.4761, 0], [0, 0, 4.4761]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:01:04      -77.908620       96.1661
BFGS:    1 17:01:04      -90.316317       70.2045
BFGS:    2 17:01:04      -99.236839       49.4624
BFGS:    3 17:01:04     -105.351983       32.6931
BFGS:    4 17:01:04     -109.212910       19.2914
BFGS:    5 17:01:04     -111.276457        8.6345
BFGS:    6 17:01:04     -111.888411        1.6607
BFGS:    7 17:01:04     -111.915036        0.1908
BFGS:    8 17:01:04     -111.915403        0.0050
BFGS:    9 17:01:04     -111.915403        0.0000
BFGS:   10 17:01:04     -111.915403        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.006861478292855e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf', 'Hf', 'Hf']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.95049518e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.813423124366518, -1.1955391439042162e-32, -3.333717530690101e-32], [-4.2729744723996435e-33, 4.813423124366518, 1.15604467097631e-17], [-2.589669997480431e-32, 1.1560446709763084e-17, 4.813423124366518]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.00686148e-11 -5.00686148e-11 -5.00686148e-11  2.13177743e-26
  1.39650240e-33 -3.02094623e-49]
energy per atom =  -27.97885078925992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0