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 15:48:41       -2.618339         0.356320
BFGS:    1 15:48:41       -2.623773         0.354263
BFGS:    2 15:48:41       -2.659827         0.062207
BFGS:    3 15:48:41       -2.661444         0.038745
BFGS:    4 15:48:41       -2.662435         0.001281
BFGS:    5 15:48:41       -2.662436         0.000024
BFGS:    6 15:48:41       -2.662436         0.000000
BFGS:    7 15:48:41       -2.662436         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.386638420226749e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.563569395788325, 1.3172032473504195e-32, 2.4322299695565873e-33], [7.593586667318541e-33, 4.563569395788325, -9.189555165891488e-18], [1.7515025827671808e-33, -9.189555165891393e-18, 4.563569395788325]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.38663842e-15 -6.38663842e-15 -6.38663842e-15 -5.57467049e-31
 -3.31089163e-64 -1.92850585e-63]
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