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:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== 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 14:35:58       -0.890864        0.4343
BFGS:    1 14:35:58       -0.893631        0.4355
BFGS:    2 14:35:58       -0.893021        0.6346
BFGS:    3 14:35:58       -0.901429        0.3374
BFGS:    4 14:35:58       -0.903149        0.3709
BFGS:    5 14:35:58       -0.905186        0.3568
BFGS:    6 14:35:58       -0.906464        0.3673
BFGS:    7 14:35:58       -0.915516        0.3586
BFGS:    8 14:35:58       -0.922780        0.0889
BFGS:    9 14:35:58       -0.923420        0.0680
BFGS:   10 14:35:58       -0.923508        0.0189
BFGS:   11 14:35:58       -0.923514        0.0005
BFGS:   12 14:35:58       -0.923514        0.0000
BFGS:   13 14:35:58       -0.923514        0.0000
BFGS:   14 14:35:58       -0.923514        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.16046414278815e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.586265073958744, 4.5688897078727665e-17, -1.883912208025922e-36], [-1.793132536979372, 3.105796658753152, -2.990573159186758e-35], [-5.264167997923719e-35, -5.435573038706489e-34, 3.4133839631453284]])
forces =  [[0. 0. 0.]]
stress =  [-2.53445559e-12 -2.53445559e-12 -4.16046414e-12  5.79689822e-46
  3.13661985e-46  2.83679459e-28]
energy per atom =  -0.539427233010815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0