element(s):
['Ca']
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:
['3.8897', '1.6595367']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.8897, 0, 0], [-1.94485, 3.3685790131003, 0], [0, 0, 6.4551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:47       -3.661425         0.147187
BFGS:    1 18:00:47       -3.662016         0.133471
BFGS:    2 18:00:47       -3.664849         0.036515
BFGS:    3 18:00:47       -3.664879         0.036086
BFGS:    4 18:00:47       -3.664924         0.030633
BFGS:    5 18:00:47       -3.664978         0.017928
BFGS:    6 18:00:47       -3.665011         0.006341
BFGS:    7 18:00:47       -3.665018         0.001623
BFGS:    8 18:00:47       -3.665018         0.000233
BFGS:    9 18:00:47       -3.665018         0.000022
BFGS:   10 18:00:47       -3.665018         0.000001
BFGS:   11 18:00:47       -3.665018         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.6417151758202704e-32 eV/Angstrom
Maximum stress component: 2.1763394955422024e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.9384925078300017, -6.578528103663761e-18, 2.531384092361692e-37], [-1.9692462539150009, 3.4108345643954645, -1.2827237176801046e-36], [1.3258052214580626e-36, -1.8591748640610454e-36, 6.42964191026033]])
forces =  [[-2.02273618e-33  3.37860914e-51 -2.64171518e-32]
 [ 5.44727035e-69 -7.63869982e-69  2.64171518e-32]]
stress =  [-2.17633950e-10 -2.17633950e-10  1.28625255e-12 -3.74698331e-34
  4.14595990e-47  4.72065510e-26]
energy per atom =  -1.8325090772314054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0