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:
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
==== 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 16:15:19      -13.732230         0.882103
BFGS:    1 16:15:19      -13.755952         0.366222
BFGS:    2 16:15:19      -13.760648         0.019037
BFGS:    3 16:15:19      -13.760660         0.000392
BFGS:    4 16:15:19      -13.760660         0.000000
BFGS:    5 16:15:19      -13.760660         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.02705309899264e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1491000320604186, 2.6992563296592716e-35, -2.7390715774947256e-37], [1.9316368466189615e-35, 3.149100032060418, 2.154952161976207e-26], [3.699329392265529e-36, 2.1549521622215327e-26, 3.1491000320604186]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.02705310e-13 -7.02705310e-13 -7.02705310e-13 -3.85503161e-29
 -6.35995195e-64 -5.65606374e-64]
energy per atom =  -6.880330193088012
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0