element(s):
['Ca', 'Cd']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.839']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Cd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.839, 0, 0], [0, 3.839, 0], [0, 0, 3.839]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:29       -1.154389        0.6674
BFGS:    1 14:46:29       -1.173371        0.6596
BFGS:    2 14:46:29       -1.267159        0.5771
BFGS:    3 14:46:29       -1.341142        0.3869
BFGS:    4 14:46:29       -1.374712        0.0235
BFGS:    5 14:46:29       -1.374787        0.0083
BFGS:    6 14:46:29       -1.374798        0.0001
BFGS:    7 14:46:29       -1.374798        0.0000
BFGS:    8 14:46:29       -1.374798        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4885006005926837e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Cd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.528164986974853, -1.1645858914789268e-33, 8.867538741485571e-33], [-4.125643570689692e-34, 3.528164986974853, 5.9540884851207544e-18], [-9.383156701575673e-33, 5.954088485120765e-18, 3.528164986974853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.48850060e-12 -1.48850060e-12 -1.48850060e-12 -2.89943142e-28
 -4.12583111e-35 -4.19698972e-51]
energy per atom =  -0.6873987633716665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0