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 15:39:21       -3.546060         0.025177
BFGS:    1 15:39:21       -3.546081         0.023510
BFGS:    2 15:39:21       -3.546239         0.008327
BFGS:    3 15:39:21       -3.546240         0.007648
BFGS:    4 15:39:21       -3.546246         0.002219
BFGS:    5 15:39:21       -3.546247         0.000940
BFGS:    6 15:39:21       -3.546247         0.000096
BFGS:    7 15:39:21       -3.546247         0.000016
BFGS:    8 15:39:21       -3.546247         0.000001
BFGS:    9 15:39:21       -3.546247         0.000000
BFGS:   10 15:39:21       -3.546247         0.000000
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