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 14:48:59       -3.661425        0.1472
BFGS:    1 14:48:59       -3.662016        0.1335
BFGS:    2 14:48:59       -3.664849        0.0365
BFGS:    3 14:48:59       -3.664879        0.0361
BFGS:    4 14:48:59       -3.664924        0.0306
BFGS:    5 14:48:59       -3.664978        0.0179
BFGS:    6 14:48:59       -3.665011        0.0063
BFGS:    7 14:48:59       -3.665018        0.0016
BFGS:    8 14:48:59       -3.665018        0.0002
BFGS:    9 14:48:59       -3.665018        0.0000
BFGS:   10 14:48:59       -3.665018        0.0000
BFGS:   11 14:48:59       -3.665018        0.0000
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, -3.720343623983462e-18, 1.48855636017648e-38], [-1.9692462539150009, 3.4108345643954645, -4.6147065935203425e-38], [1.1176085747127444e-36, 1.0326417825257348e-37, 6.42964191026033]])
forces =  [[-2.02273618e-33  1.91069898e-51 -2.64171518e-32]
 [ 4.59186308e-69  4.24276423e-70  2.64171518e-32]]
stress =  [-2.17633950e-10 -2.17633950e-10  1.28625255e-12 -3.74698331e-34
  3.62939805e-47  4.56501555e-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