element(s):
['Ca']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5236']
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 =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:24       -4.364590         1.138831
BFGS:    1 16:15:24       -4.420222         1.140757
BFGS:    2 16:15:24       -4.591563         1.142771
BFGS:    3 16:15:24       -4.762722         1.138148
BFGS:    4 16:15:24       -4.932624         1.125841
BFGS:    5 16:15:24       -5.100031         1.104678
BFGS:    6 16:15:24       -5.263520         1.073352
BFGS:    7 16:15:24       -5.421456         1.030404
BFGS:    8 16:15:24       -5.571979         0.974212
BFGS:    9 16:15:24       -5.712968         0.902968
BFGS:   10 16:15:24       -5.842017         0.814667
BFGS:   11 16:15:24       -5.956404         0.707080
BFGS:   12 16:15:24       -6.053053         0.577732
BFGS:   13 16:15:24       -6.128499         0.423883
BFGS:   14 16:15:24       -6.178842         0.242496
BFGS:   15 16:15:24       -6.199703         0.030208
BFGS:   16 16:15:24       -6.199998         0.002722
BFGS:   17 16:15:24       -6.200000         0.000027
BFGS:   18 16:15:24       -6.200000         0.000000
BFGS:   19 16:15:24       -6.200000         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.140962280526137e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.80919064e-34]]
cellpar =  Cell([[4.525483388436417, -7.418338947548013e-33, 2.1501056337853146e-33], [2.8285302225055365e-32, 4.525483388436417, -5.318114960812655e-17], [1.4506760031510165e-34, -5.318114960812656e-17, 4.525483388436418]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.14096228e-15 -7.14096228e-15 -7.14096228e-15 -8.97275511e-32
 -3.13465162e-36 -7.55084614e-53]
energy per atom =  -1.5500000001746281
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0