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 14:37:10       -1.649646        0.5572
BFGS:    1 14:37:10       -1.655690        0.4240
BFGS:    2 14:37:10       -1.666009        0.0535
BFGS:    3 14:37:10       -1.666244        0.0229
BFGS:    4 14:37:10       -1.666266        0.0177
BFGS:    5 14:37:10       -1.666280        0.0115
BFGS:    6 14:37:10       -1.666284        0.0031
BFGS:    7 14:37:10       -1.666284        0.0003
BFGS:    8 14:37:10       -1.666284        0.0000
BFGS:    9 14:37:10       -1.666284        0.0000
BFGS:   10 14:37:10       -1.666284        0.0000
BFGS:   11 14:37:10       -1.666284        0.0000
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