element(s):
['Ca']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5236']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:03       -7.322332         0.124785
BFGS:    1 16:15:03       -7.322982         0.118186
BFGS:    2 16:15:03       -7.328804         0.004920
BFGS:    3 16:15:03       -7.328815         0.000206
BFGS:    4 16:15:03       -7.328815         0.000000
BFGS:    5 16:15:03       -7.328815         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.963168358685996e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.5721513028837695, -9.341046186017557e-33, -3.117251684854644e-33], [2.1770993030722767e-33, 5.5721513028837695, 9.951956060372596e-18], [3.3818043797576215e-32, 9.951956060372563e-18, 5.5721513028837695]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.96316836e-13 -6.96316836e-13 -6.96316836e-13  1.12862088e-28
 -1.13762217e-59 -4.83419487e-62]
energy per atom =  -1.832203744145633
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0