element(s):
['C', 'Pt']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7993']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.7993, 0, 0], [0, 2.7993, 0], [0, 0, 2.7993]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:06:48      -42.908911        29.558882
BFGS:    1 17:06:48      -47.381254        29.791156
BFGS:    2 17:06:48      -51.742172        27.880830
BFGS:    3 17:06:48      -55.554093        22.213921
BFGS:    4 17:06:49      -58.098152        10.374055
BFGS:    5 17:06:49      -58.320591         8.640412
BFGS:    6 17:06:49      -58.530291         1.235383
BFGS:    7 17:06:50      -58.535384         0.122565
BFGS:    8 17:06:50      -58.535434         0.002022
BFGS:    9 17:06:50      -58.535434         0.000003
BFGS:   10 17:06:51      -58.535434         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.86918293854977e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4820521942356337, -2.37649240713206e-32, -3.1207579123605245e-33], [-1.2968231124501055e-32, 2.482052194235634, 1.1907933917456834e-17], [3.4911632713351355e-34, 1.1907933917456826e-17, 2.4820521942356337]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.86918294e-12  9.86918294e-12  9.86918294e-12 -8.58604542e-29
  2.93311424e-60 -2.44371287e-59]
energy per atom =  -29.26771676283293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0