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=477391.58575727395 stress="-63434.75754163581 -8008.274598073674 -4538.467937903159 -8008.274598073674 -94948.83272768556 -10540.568873547063 -4538.467937903159 -10540.568873547063 -54526.641632394196" pbc="T T F" Fr 0.01857539 -0.11472055 0.00234887 275553.42052973 110458.76938071 -402917.69451892 Fr 1.57185536 1.49675487 0.28527241 -268192.19843833 -344784.63500893 -631263.59011517 Fr 1.78750741 -0.08960839 1.47306373 -671434.11499642 115259.86678686 622131.27996412 Fr -0.12797094 1.37846588 1.78815381 664072.89290503 119065.99884136 412050.00466997