4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-555.9220458993901 stress="1254.160748869733 -534.913604918126 -149.56673278738754 -534.913604918126 1782.937728332632 -90.91661366068638 -149.56673278738754 -90.91661366068638 1488.3271148507142" pbc="F F F" Pd 0.27143892 -0.05853576 0.10338854 379.42757736 201.73803372 427.46386032 Pd 1.49554554 1.43947759 0.20613893 -441.90975690 -387.08595756 689.56264858 Pd 1.24663523 0.24711435 1.44857885 -938.23051284 1255.66919073 -606.69802364 Pd 0.47303808 1.42407817 1.55942257 1000.71269239 -1070.32126689 -510.32848526