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_1959LowCutoff_Ca__MO_887105884651_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 14:37:09       -1.496524        0.6752
BFGS:    1 14:37:09       -1.507318        0.5843
BFGS:    2 14:37:09       -1.526619        0.1157
BFGS:    3 14:37:09       -1.527168        0.0376
BFGS:    4 14:37:09       -1.527202        0.0153
BFGS:    5 14:37:09       -1.527214        0.0113
BFGS:    6 14:37:09       -1.527223        0.0020
BFGS:    7 14:37:09       -1.527224        0.0006
BFGS:    8 14:37:09       -1.527224        0.0000
BFGS:    9 14:37:09       -1.527224        0.0000
BFGS:   10 14:37:09       -1.527224        0.0000
BFGS:   11 14:37:09       -1.527224        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.955386793389473e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.861121853290748, 1.9004219530185237e-17, 3.761233165972329e-38], [-1.930560926645374, 3.3438296120570405, -4.114386811674556e-36], [8.323981071658769e-36, -5.341249565304636e-36, 3.6532130802928826]])
forces =  [[0. 0. 0.]]
stress =  [ 7.95538679e-12  7.95538679e-12  3.80404713e-12 -3.34862498e-48
 -2.49669220e-47 -4.68412143e-27]
energy per atom =  -1.527223769851805
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0