16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=26108.803405666968 stress="-1.4770824751883807 0.040854595923656284 -0.2997960179304064 0.040854595923656284 -1.5997999312266744 0.31450667058225845 -0.2997960179304064 0.31450667058225845 -1.4151509331505474" pbc="F F F" Ce 21.02974357 21.24025631 20.71420917 -2902.11891298 -2932.59253038 -3407.28801981 Ce 22.26393696 22.32422806 22.61972022 11029.85663192 15974.58958055 -8586.56192981 Ce 23.75123481 21.03749156 21.17602710 1713.89855329 -5239.87054438 -6639.95222478 Ce 25.44090796 22.59956330 22.22543011 13311.18481855 -10189.61958379 8510.34680542 Ce 20.98942593 23.92456182 21.10501140 -2294.12160847 2700.91703809 -3149.53297310 Ce 22.43546933 25.59668448 22.73938497 -13501.12979619 17325.94527490 -11076.02996299 Ce 24.25936034 24.15128907 21.12371566 -17762.83229029 4115.50700987 -18001.89555441 Ce 25.77750441 25.45798038 22.21230314 10284.23109562 9188.69357321 6087.35349933 Ce 21.18282026 20.91585062 23.90106904 -13143.82112698 -16507.95224519 13407.37667296 Ce 23.03053881 22.28566372 25.27992725 -1978.18183262 625.63731980 5025.89361837 Ce 24.33569746 20.70178246 23.73118909 814.45259056 -4667.67788992 177.56092265 Ce 25.73835934 22.04615943 25.53741022 2304.76002670 633.07224715 1490.10189986 Ce 20.70194909 24.01366474 23.93741675 -3045.07705800 93.83419846 2382.52142283 Ce 22.72801420 25.54766157 25.60648835 -2585.46416404 2132.26580343 3271.43849771 Ce 23.81649600 24.21224302 23.73219888 13836.53245389 -14748.29666062 7826.83651100 Ce 25.40058977 25.17680318 25.42169370 3917.83061904 1495.54740883 2681.83081477