16 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=-4.041859265622843 stress="6.6703269508280245 0.6015710435715187 0.9518688939326942 0.6015710435715187 10.276926972024182 1.2766612687235437 0.9518688939326942 1.2766612687235437 8.65104507381425" pbc="F F F" H -0.15273020 0.05225467 0.04670056 0.16708417 1.03311864 0.12120592 H 0.52853635 0.95286379 0.84860014 -1.32819718 1.01698957 1.47040473 H 1.97897128 0.02674622 -0.15191263 0.11406850 0.80067943 0.86266063 H 2.32099700 0.74962144 0.73244606 -1.04744376 0.21804436 -0.83156198 H -0.17115402 1.23652475 -0.15388322 0.43400116 -0.86512340 0.74364176 H 0.46245580 2.49234571 0.60928946 0.00012833 -0.39914878 0.14869594 H 1.76457118 1.40052786 -0.06444840 0.45649156 -0.78235716 0.92870602 H 2.54327960 2.10134984 1.01447077 -0.99533937 -0.37738322 1.02603648 H -0.24414561 0.22545095 1.78798145 0.92898937 1.09630306 0.00574763 H 0.67182303 0.83551579 2.28003958 -1.18618603 1.26497464 -1.68705204 H 1.53686550 -0.22935004 1.23798824 0.14306344 0.51045625 -0.28731415 H 2.51506824 1.01855960 2.29393198 -0.86350023 0.59181833 -0.71909750 H 0.04946378 1.44969794 1.62181344 2.62689756 -1.61474627 0.06013938 H 0.59192400 2.09311813 2.35505097 -0.19960151 -1.51557014 -1.22627070 H 1.64676232 1.53880611 1.70631584 1.29429374 1.54550120 0.83970811 H 2.02821380 2.45146212 2.00766230 -0.54474975 -2.52355652 -1.45565024