element(s):
['Ba']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4642', '1.6428923']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ba']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.4642, 0, 0], [-2.2321, 3.8661106075745, 0], [0, 0, 7.3342]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:47:35       -3.546060        0.0252
BFGS:    1 14:47:35       -3.546081        0.0235
BFGS:    2 14:47:35       -3.546239        0.0083
BFGS:    3 14:47:35       -3.546240        0.0076
BFGS:    4 14:47:35       -3.546246        0.0022
BFGS:    5 14:47:35       -3.546247        0.0009
BFGS:    6 14:47:35       -3.546247        0.0001
BFGS:    7 14:47:35       -3.546247        0.0000
BFGS:    8 14:47:35       -3.546247        0.0000
BFGS:    9 14:47:35       -3.546247        0.0000
BFGS:   10 14:47:35       -3.546247        0.0000
Minimization converged after 10 steps.
Maximum force component: 7.96553731499185e-33 eV/Angstrom
Maximum stress component: 1.072465271798412e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ba', 'Ba']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[4.4772901070985265, 6.333039332793272e-18, 3.1799784802604973e-40], [-2.2386450535492632, 3.8774469728600742, 6.042872952305969e-40], [9.15560521341938e-38, -2.530348327698998e-37, 7.31387564551923]])
forces =  [[-6.89835767e-33  7.96553731e-33  1.07808491e-72]
 [-5.74863139e-34  9.95692164e-34  1.55175333e-73]]
stress =  [-1.07246527e-12 -1.07246527e-12  9.74912168e-13 -1.08659332e-34
 -1.88203483e-34  1.41136496e-28]
energy per atom =  -1.7731236956088514
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0