40
Lattice="5.304559 5.304559 5.304559 -5.304559 5.304559 -5.304559 -5.304559 -5.304559 5.304559" Properties=species:S:1:pos:R:3:forces:R:3 energy=-344.56115029244967 stress="-0.009240203577883483 -0.0011012634190942993 -0.00109394605100044 -0.0011012634190942993 -0.009230417098205452 0.0010970297841014758 -0.00109394605100044 0.0010970297841014758 -0.009239839481182918" dipole="-4.418261985048918e-07 0.00021248496190497273 0.00022840965023932931" pbc="T T T"
O        1.15410000       3.69419000       1.27770000       0.02429724       0.01668663      -0.04183236
O       -4.02686000       4.15046000      -3.69419000      -0.03224778      -0.03107361      -0.03188366
O       -1.61037000       4.02686000      -1.15410000       0.03359230       0.02777783      -0.03232052
O       -4.02686000       6.45865000      -1.61037000      -0.02696892      -0.00239188      -0.00779457
O       -1.15410000       1.61037000       1.27770000      -0.01879021      -0.01766938      -0.04230871
O        1.61037000       4.02686000       4.15046000      -0.01947577       0.03866738      -0.01640869
O        3.69419000       4.02686000       6.45865000       0.01749716       0.04651617       0.02746164
O       -4.15046000       1.61037000      -1.27770000       0.03066962      -0.03294099       0.03154150
O       -1.27770000       6.45865000       1.61037000       0.04374220       0.02213215      -0.02115334
O       -3.69419000       4.02686000       1.15410000       0.00929083       0.03103580       0.00228622
O       -1.27770000       4.15046000       3.69419000       0.04241403      -0.02948864       0.01689930
O       -6.45865000       3.69419000      -1.27770000      -0.00253930      -0.00614587       0.02593153
O        1.15410000       1.61037000       6.58226000       0.00245906       0.00615631      -0.02596813
O       -4.02686000       1.15410000       1.61037000      -0.04239782       0.02948012      -0.01689278
O       -1.61037000       1.27770000       4.15046000      -0.00928014      -0.03103044      -0.00228812
O       -4.02686000      -1.15410000       3.69419000      -0.04373161      -0.02206435       0.02115151
O       -1.15410000       3.69419000       6.58226000      -0.03066383       0.03292503      -0.03157984
O       -8.99875000       1.27770000      -1.15410000      -0.01749639      -0.04654565      -0.02738035
O       -6.91493000       1.27770000       1.15410000       0.01946136      -0.03869553       0.01640459
O       -4.15046000       3.69419000       4.02686000       0.01879512       0.01768726       0.04230574
O       -1.27770000      -1.15410000       6.91493000       0.02698882       0.00247681       0.00780104
O       -3.69419000       1.27770000       6.45865000      -0.03358632      -0.02778300       0.03239465
O       -1.27770000       1.15410000       8.99875000       0.03225873       0.03107468       0.03187154
O       -6.45865000       1.61037000       4.02686000      -0.02437442      -0.01670207       0.04181765
Y        2.65228000       2.65228000       2.65228000       0.00000182      -0.00001322       0.00001081
Y       -2.65228000       2.65228000      -2.65228000      -0.00000607      -0.00000043       0.00000101
Y       -0.00000000       7.95684000       0.34425000      -0.00234129       0.00146703       0.01242649
Y        0.34425000       5.30456000       2.65228000       0.01221101      -0.00237704      -0.00120649
Y       -2.65228000       0.34425000       0.00000000      -0.00119072       0.01252745       0.00264182
Y       -2.65228000       5.64881000       0.00000000      -0.00597141       0.01212905       0.00389669
Y       -0.34425000      -0.00000000       2.65228000      -0.01242988       0.00351830       0.00581020
Y       -0.00000000       2.65228000       4.96031000       0.00359996      -0.00588152      -0.01211994
Y       -2.65228000      -2.65228000       2.65228000       0.00002369       0.00000424      -0.00000957
Y       -2.65228000       2.65228000       2.65228000      -0.00000740       0.00000102       0.00000069
Y       -5.30456000       2.65228000       0.34425000      -0.00358233       0.00587106       0.01212581
Y       -4.96031000       5.30456000       2.65228000       0.01243926      -0.00353780      -0.00582271
Y       -2.65228000      -0.34425000       5.30456000       0.00599315      -0.01217147      -0.00391128
Y       -2.65228000       4.96031000       5.30456000       0.00118339      -0.01252087      -0.00265026
Y       -5.64881000      -0.00000000       2.65228000      -0.01218679       0.00236845       0.00120027
Y       -5.30456000      -2.65228000       4.96031000       0.00234798      -0.00146969      -0.01244846