element(s):
['O', 'Si']
AFLOW prototype label:
A2B_aP36_1_24a_12a
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25', 'x26', 'y26', 'z26', 'x27', 'y27', 'z27', 'x28', 'y28', 'z28', 'x29', 'y29', 'z29', 'x30', 'y30', 'z30', 'x31', 'y31', 'z31', 'x32', 'y32', 'z32', 'x33', 'y33', 'z33', 'x34', 'y34', 'z34', 'x35', 'y35', 'z35', 'x36', 'y36', 'z36']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2029', '0.99626205', '0.97546426', '81.0235', '81.8096', '111.5295', '0.34374528', '0.99602032', '0.77614801', '0.78881136', '0.77053989', '0.70147415', '0.93541725', '0.69318368', '0.46658703', '0.6947163', '0.92515016', '0.48308027', '0.18920172', '0.93709847', '0.28455709', '0.92578639', '0.19061704', '0.30085764', '0.014614409', '0.70135205', '0.16715655', '0.6819644', '0.015721574', '0.19189205', '0.89605887', '0.90292997', '0.2507981', '0.86986121', '0.52215252', '0.75014031', '0.53919995', '0.84121942', '0.77507747', '0.12040687', '0.10333034', '0.72943308', '0.1455525', '0.4893809', '0.22514287', '0.48233134', '0.16515782', '0.20147031', '0.0085589079', '0.31566519', '0.8008872', '0.82974651', '0.075752905', '0.6902728', '0.096189457', '0.81866732', '0.67292293', '0.089855662', '0.31238523', '0.50582191', '0.32017407', '0.091111809', '0.49055898', '0.96781271', '0.47376119', '0.01369389', '0.47516713', '0.96482118', '0.014792641', '0.23619773', '0.24575878', '0.26350276', '0.71476512', '0.25216001', '0.95626713', '0.2573297', '0.70631804', '0.96052925', '0.0089470428', '0.80840671', '0.29297487', '0.79967719', '0.0091046976', '0.30707324', '0.92290903', '0.70163428', '0.64795855', '0.71332266', '0.90349169', '0.66241852', '0.097396024', '0.59316825', '0.091102522', '0.58948222', '0.10027576', '0.090488242', '0.21970298', '0.0018054266', '0.66690965', '0.012212492', '0.20156693', '0.68082043', '0.30661476', '0.10982259', '0.31003537', '0.099190172', '0.30898777', '0.32377132', '0.4045415', '0.87806275', '0.88190789', '0.89105908', '0.39204733', '0.88074496']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.34374528 0.99602032 0.77614801]
 [0.78881136 0.77053989 0.70147415]
 [0.93541725 0.69318368 0.46658703]
 [0.6947163  0.92515016 0.48308027]
 [0.18920172 0.93709847 0.28455709]
 [0.92578639 0.19061704 0.30085764]
 [0.01461441 0.70135205 0.16715655]
 [0.6819644  0.01572157 0.19189205]
 [0.89605887 0.90292997 0.2507981 ]
 [0.86986121 0.52215252 0.75014031]
 [0.53919995 0.84121942 0.77507747]
 [0.12040687 0.10333034 0.72943308]
 [0.1455525  0.4893809  0.22514287]
 [0.48233134 0.16515782 0.20147031]
 [0.00855891 0.31566519 0.8008872 ]
 [0.82974651 0.0757529  0.6902728 ]
 [0.09618946 0.81866732 0.67292293]
 [0.08985566 0.31238523 0.50582191]
 [0.32017407 0.09111181 0.49055898]
 [0.96781271 0.47376119 0.01369389]
 [0.47516713 0.96482118 0.01479264]
 [0.23619773 0.24575878 0.26350276]
 [0.71476512 0.25216001 0.95626713]
 [0.2573297  0.70631804 0.96052925]
 [0.00894704 0.80840671 0.29297487]
 [0.79967719 0.0091047  0.30707324]
 [0.92290903 0.70163428 0.64795855]
 [0.71332266 0.90349169 0.66241852]
 [0.09739602 0.59316825 0.09110252]
 [0.58948222 0.10027576 0.09048824]
 [0.21970298 0.00180543 0.66690965]
 [0.01221249 0.20156693 0.68082043]
 [0.30661476 0.10982259 0.31003537]
 [0.09919017 0.30898777 0.32377132]
 [0.4045415  0.87806275 0.88190789]
 [0.89105908 0.39204733 0.88074496]]
spacegroup =  1
cell =  [[9.2029, 0, 0], [-3.3646581855687, 8.5288022338594, 0], [1.2789054331129, 2.0102841224013, 8.6551420005899]]
=========================================