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:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002
==== 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 15:49:07       -2.186260         1.162310
BFGS:    1 15:49:07       -2.244303         1.167723
BFGS:    2 15:49:07       -2.419787         1.167580
BFGS:    3 15:49:07       -2.593015         1.136118
BFGS:    4 15:49:07       -2.758544         1.063015
BFGS:    5 15:49:07       -2.909198         0.935378
BFGS:    6 15:49:07       -3.035636         0.737182
BFGS:    7 15:49:07       -3.125840         0.448575
BFGS:    8 15:49:07       -3.164472         0.045044
BFGS:    9 15:49:07       -3.164781         0.008386
BFGS:   10 15:49:07       -3.164792         0.000121
BFGS:   11 15:49:07       -3.164792         0.000000
BFGS:   12 15:49:07       -3.164792         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.329379470679086e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.568595939081863, 1.872218717289847e-33, 2.828029141313434e-33], [-1.0590632932545887e-32, 3.568595939081863, -9.417283621133304e-17], [-1.521019520726471e-32, -9.417283621133296e-17, 3.5685959390818627]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.32937947e-13 -4.32937947e-13 -4.32937947e-13  1.11361836e-28
 -2.01643612e-35  2.97830979e-51]
energy per atom =  -1.5823960858055863
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0