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_1959HighCutoff_Ca__MO_159753408472_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 15:39:22       -3.709757         0.119221
BFGS:    1 15:39:22       -3.710149         0.108592
BFGS:    2 15:39:22       -3.712198         0.034332
BFGS:    3 15:39:22       -3.712222         0.032847
BFGS:    4 15:39:22       -3.712262         0.026015
BFGS:    5 15:39:22       -3.712304         0.013483
BFGS:    6 15:39:22       -3.712327         0.005055
BFGS:    7 15:39:22       -3.712331         0.001047
BFGS:    8 15:39:22       -3.712332         0.000169
BFGS:    9 15:39:22       -3.712332         0.000012
BFGS:   10 15:39:22       -3.712332         0.000000
BFGS:   11 15:39:22       -3.712332         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.6382229470595054e-32 eV/Angstrom
Maximum stress component: 9.61583697986132e-11 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([[3.9310347751103554, -4.850960652119151e-18, -1.2793794888462225e-36], [-1.9655173875551777, 3.4043759784056147, 1.6579535824194148e-37], [3.7487507849677365e-36, 1.6097841880340627e-36, 6.421142212561672]])
forces =  [[ 1.00945301e-33  1.74842390e-33 -2.63822295e-32]
 [-1.00945301e-33 -1.74842390e-33  2.63822295e-32]]
stress =  [-9.61583698e-11 -9.61583698e-11  2.71341382e-11  3.75906118e-34
  1.62772124e-34  6.29535493e-27]
energy per atom =  -1.8561658663212748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0