16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=123.40321389906231 stress="-0.004350985655518159 -0.0020644895844597515 -0.00011435933992649112 -0.0020644895844597515 -0.01083511454877945 0.010343845341322412 -0.00011435933992649112 0.010343845341322412 -0.015023227422620813" free_energy=123.40321389906231 pbc="F F F" H 10.41561068 10.35948035 10.34338106 -19.59756132 -21.82852664 12.59847062 H 11.12719504 11.04869006 11.36041876 -9.26951004 24.30896018 126.65302158 H 11.51941031 10.33533445 10.24148635 15.07226554 -46.39774113 -52.84273732 H 12.83611608 11.28369179 11.27598936 -85.26904038 12.36303575 84.98349216 H 10.22329650 12.11864219 10.40583543 -71.56070543 14.83856566 -67.65292270 H 11.00559716 12.45178472 11.54874826 145.15111180 42.55158761 157.63805741 H 11.77290972 11.88090187 10.36136659 38.16523993 17.28250210 -105.74339975 H 12.80835534 12.49645637 11.23193431 -57.17902490 -24.21100554 49.57851210 H 10.47990405 10.40315948 11.70342959 -8.45486325 -4.02127999 -41.00355021 H 11.15085166 11.41224630 13.03187239 -58.44413288 -41.11980489 89.28376276 H 12.01001192 10.48453339 11.91595850 23.55688702 48.61671362 -9.00908833 H 12.62793365 10.96904386 12.75082602 18.75620564 -83.99519402 3.98027417 H 10.74624097 12.14302402 11.85498893 -21.94503721 -84.97491849 3.81138369 H 11.36042859 12.94791189 12.60512851 -63.04049727 19.54841467 -93.35671610 H 12.05280714 11.91333883 11.84655491 151.87541417 167.25871828 -112.63032852 H 12.65518949 12.57230844 12.66049160 2.18324859 -40.22002717 -46.28823156