element(s):
['Mo']
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:
['3.1827']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:03:01      -55.934633        97.222261
BFGS:    1 17:03:01      -66.390920        45.970788
BFGS:    2 17:03:01      -70.428736        16.130791
BFGS:    3 17:03:01      -71.165799         4.557436
BFGS:    4 17:03:01      -71.239610         0.657395
BFGS:    5 17:03:01      -71.241278         0.035165
BFGS:    6 17:03:01      -71.241282         0.000294
BFGS:    7 17:03:01      -71.241282         0.000000
BFGS:    8 17:03:01      -71.241282         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.645778804148535e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3901166261043754, 1.7985486196901513e-33, -2.074212049078213e-33], [-7.183081375488267e-33, 3.390116626104375, 2.085466621664372e-18], [-1.993735960565767e-33, 2.085466621664386e-18, 3.3901166261043754]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.64577880e-15 -5.64577880e-15 -5.64577880e-15 -5.49904940e-31
 -1.42997985e-33 -3.56106912e-49]
energy per atom =  -35.62064118205755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0