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 15:48:49       -1.529339         1.062482
BFGS:    1 15:48:49       -1.577959         1.072317
BFGS:    2 15:48:49       -1.739311         1.074367
BFGS:    3 15:48:49       -1.895300         0.986771
BFGS:    4 15:48:49       -2.027485         0.743221
BFGS:    5 15:48:49       -2.105867         0.247859
BFGS:    6 15:48:49       -2.110409         0.146490
BFGS:    7 15:48:49       -2.112216         0.013909
BFGS:    8 15:48:49       -2.112234         0.000687
BFGS:    9 15:48:49       -2.112234         0.000003
BFGS:   10 15:48:49       -2.112234         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6086227103056126e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.8744119414975526, 1.9493807114672142e-32, 4.175748367075171e-33], [-1.9535646332923482e-34, 3.874411941497553, 7.977962631654125e-17], [3.256579658994053e-33, 7.977962631654133e-17, 3.8744119414975526]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.60862271e-11  2.60862271e-11  2.60862271e-11 -2.41154090e-27
  3.84901985e-35  5.30797974e-52]
energy per atom =  -1.0561168858770071
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0