element(s):
['Ca']
AFLOW prototype label:
A_hP1_191_a
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:
['3.7384', '0.93031778']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[3.7384, 0, 0], [-1.8692, 3.2375493695077, 0], [0, 0, 3.4779]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:28:52       -1.649646         0.557169
BFGS:    1 15:28:52       -1.655690         0.423974
BFGS:    2 15:28:52       -1.666009         0.053547
BFGS:    3 15:28:52       -1.666244         0.022906
BFGS:    4 15:28:52       -1.666266         0.017705
BFGS:    5 15:28:52       -1.666280         0.011539
BFGS:    6 15:28:52       -1.666284         0.003061
BFGS:    7 15:28:52       -1.666284         0.000334
BFGS:    8 15:28:52       -1.666284         0.000035
BFGS:    9 15:28:52       -1.666284         0.000002
BFGS:   10 15:28:52       -1.666284         0.000000
BFGS:   11 15:28:52       -1.666284         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.591578152774035e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.826366074423125, -3.7752947449442645e-18, -5.705023306905085e-37], [-1.9131830372115626, 3.3137302246293654, 5.189954040240803e-37], [3.4907503139320936e-36, 2.0122185325344284e-35, 3.612193095594003]])
forces =  [[0. 0. 0.]]
stress =  [-6.59157815e-12 -6.59157815e-12 -5.86521508e-12 -1.04911747e-47
 -1.10020041e-47 -1.99420226e-27]
energy per atom =  -1.6662843898689061
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0