element(s):
['H', 'Mg']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7886', '0.34682259']
model name:
Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Mg']
representative atom coordinates =  [[0.34682259 0.34682259 0.34682259]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7886, 0, 0], [0, 4.7886, 0], [0, 0, 4.7886]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:15      -35.106663         0.152586
BFGS:    1 16:21:15      -35.109178         0.149678
BFGS:    2 16:21:15      -35.153616         0.074248
BFGS:    3 16:21:15      -35.171659         0.022985
BFGS:    4 16:21:15      -35.172048         0.033863
BFGS:    5 16:21:15      -35.172140         0.034577
BFGS:    6 16:21:15      -35.173154         0.031118
BFGS:    7 16:21:15      -35.173709         0.018140
BFGS:    8 16:21:15      -35.173928         0.004031
BFGS:    9 16:21:15      -35.173951         0.000550
BFGS:   10 16:21:15      -35.173952         0.000074
BFGS:   11 16:21:15      -35.173952         0.000009
BFGS:   12 16:21:15      -35.173952         0.000000
BFGS:   13 16:21:15      -35.173952         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.530381696695602e-10 eV/Angstrom
Maximum stress component: 1.0695965758374535e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Mg', 'Mg', 'Mg', 'Mg']
basis =  [[3.34699099e-01 3.34699099e-01 3.34699099e-01]
 [1.65300901e-01 6.65300901e-01 8.34699099e-01]
 [6.65300901e-01 8.34699099e-01 1.65300901e-01]
 [8.34699099e-01 1.65300901e-01 6.65300901e-01]
 [6.65300901e-01 6.65300901e-01 6.65300901e-01]
 [8.34699099e-01 3.34699099e-01 1.65300901e-01]
 [3.34699099e-01 1.65300901e-01 8.34699099e-01]
 [1.65300901e-01 8.34699099e-01 3.34699099e-01]
 [4.63694201e-17 4.63694201e-17 4.63694201e-17]
 [5.00000000e-01 4.63694201e-17 5.00000000e-01]
 [4.63694201e-17 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.63694201e-17]]
cellpar =  Cell([[4.825523666554662, 1.2990690606877027e-38, 0.0], [5.392400767300861e-38, 4.825523666554662, 0.0], [0.0, 0.0, 4.825523666554662]])
forces =  [[-8.5303817e-10 -8.5303817e-10 -8.5303817e-10]
 [ 8.5303817e-10  8.5303817e-10 -8.5303817e-10]
 [ 8.5303817e-10 -8.5303817e-10  8.5303817e-10]
 [-8.5303817e-10  8.5303817e-10  8.5303817e-10]
 [ 8.5303817e-10  8.5303817e-10  8.5303817e-10]
 [-8.5303817e-10 -8.5303817e-10  8.5303817e-10]
 [-8.5303817e-10  8.5303817e-10 -8.5303817e-10]
 [ 8.5303817e-10 -8.5303817e-10 -8.5303817e-10]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]]
stress =  [-1.06959658e-10 -1.06959658e-10 -1.06959658e-10  0.00000000e+00
  0.00000000e+00 -3.52890771e-34]
energy per atom =  -2.9311626719617077
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0