element(s):
['Ca']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3822']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.3822, 0, 0], [0, 4.3822, 0], [0, 0, 4.3822]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:06       -1.529339         1.062482
BFGS:    1 16:00:07       -1.577959         1.072317
BFGS:    2 16:00:07       -1.739311         1.074367
BFGS:    3 16:00:07       -1.895300         0.986771
BFGS:    4 16:00:07       -2.027485         0.743221
BFGS:    5 16:00:07       -2.105867         0.247859
BFGS:    6 16:00:07       -2.110409         0.146490
BFGS:    7 16:00:07       -2.112216         0.013909
BFGS:    8 16:00:07       -2.112234         0.000687
BFGS:    9 16:00:07       -2.112234         0.000003
BFGS:   10 16:00:07       -2.112234         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6086311971457885e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.874411941497552, -6.080669281578669e-33, 1.1576005343330569e-33], [2.61103284808822e-33, 3.874411941497553, -7.154165723662592e-18], [8.378064365095026e-33, -7.154165723662511e-18, 3.874411941497554]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.60863120e-11 2.60863120e-11 2.60863120e-11 1.52619992e-26
 1.36854039e-34 4.52197670e-50]
energy per atom =  -1.0561168858770074
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0