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:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_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 15:59:58       -2.618339         0.356320
BFGS:    1 15:59:58       -2.623773         0.354263
BFGS:    2 15:59:58       -2.659827         0.062207
BFGS:    3 15:59:58       -2.661444         0.038745
BFGS:    4 15:59:58       -2.662435         0.001281
BFGS:    5 15:59:58       -2.662436         0.000024
BFGS:    6 15:59:58       -2.662436         0.000000
BFGS:    7 15:59:58       -2.662436         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.40231852424624e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.563569395788324, -3.6448363525977485e-32, 5.5164147163381126e-33], [-1.8138840241959768e-32, 4.563569395788324, -2.677551381268521e-17], [-1.4572360208567407e-32, -2.677551381268509e-17, 4.563569395788324]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.40231852e-15 -6.40231852e-15 -6.40231852e-15  1.85393659e-32
 -3.69905815e-35  1.91561610e-52]
energy per atom =  -0.9471315901192399
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0