27
Lattice="5.97239 -3.448161 -3.755892 -5.97239 -3.448161 -3.755892 0.0 6.896322 -3.755892" Properties=species:S:1:pos:R:3:forces:R:3 energy=-107.25269447569106 stress="-0.013476290176102941 -3.970074135701742e-08 -5.473940584407318e-08 -3.970074135701742e-08 -0.01347633375211977 1.4916061724523047e-07 -5.473940584407318e-08 1.4916061724523047e-07 -0.012494804922235429" dipole="-4.09844926134703e-05 -2.934924627901411e-05 -0.00021134557088836622" pbc="T T T"
Pd       0.67551000      -1.89659000      -2.12204000      -0.02851174       0.02139291      -0.00971494
Pd      -3.24155000      -3.95147000      -4.43863000       0.01592916       0.00620908       0.00044817
Pd       1.80129000      -4.78300000      -6.82905000       0.00264166       0.01688564      -0.00044175
Pd       1.21235000      -2.45181000      -5.08048000       0.05592579       0.00729556      -0.02542156
Pd      -1.98025000       0.36328000      -2.12204000       0.03279179       0.01403514      -0.00971598
Pd       5.04285000      -0.83153000      -4.43863000      -0.01335626       0.01067910       0.00044088
Pd      -1.51715000      -2.27583000      -6.18720000       0.03425932      -0.04479782       0.02543447
Pd       1.30474000       1.53331000      -2.12204000      -0.00424978      -0.03543852      -0.00973146
Pd      -0.00000000      -0.00000000      -4.26946000       0.00001935       0.00001814       0.02857480
Pd      -2.72950000       0.17598000      -5.08048000      -0.02165706      -0.05208607      -0.02542584
Pd       2.72950000      -0.17598000      -6.18720000       0.02166177       0.05208654       0.02543402
Pd      -0.00000000       0.00000000      -6.99822000      -0.00001495      -0.00001666      -0.02854837
Pd      -1.30474000      -1.53331000      -9.14563000       0.00425049       0.03541352       0.00967374
Pd       1.51715000       2.27583000      -5.08048000      -0.03427253       0.04478663      -0.02543207
Pd      -5.04285000       0.83153000      -6.82905000       0.01335698      -0.01067780      -0.00042192
Pd       1.98025000      -0.36328000      -9.14563000      -0.03277738      -0.01403563       0.00966728
Pd      -1.21235000       2.45181000      -6.18720000      -0.05593046      -0.00729576       0.02542606
Pd      -1.80129000       4.78300000      -4.43863000      -0.00264187      -0.01688935       0.00046295
Pd       3.24155000       3.95147000      -6.82905000      -0.01591685      -0.00623343      -0.00042211
Pd      -0.67551000       1.89659000      -9.14563000       0.02849796      -0.02138589       0.00967367
Te       0.00000000       0.00000000       0.00000000       0.00000488      -0.00000063      -0.00000417
Te      -1.60883000      -1.99963000      -3.54594000       0.00357865       0.02681020       0.01829209
Te       2.53615000      -0.39348000      -3.54594000      -0.02505927      -0.01022530       0.01832087
Te       0.92732000      -2.39311000      -7.72174000      -0.02143844       0.01658373      -0.01829652
Te      -0.92732000       2.39311000      -3.54594000       0.02144145      -0.01659894       0.01830740
Te      -2.53615000       0.39347000      -7.72174000       0.02503943       0.01029442      -0.01829642
Te       1.60883000       1.99963000      -7.72174000      -0.00357209      -0.02680886      -0.01828352