16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=21383.332685378587 pbc="F F F" Y 0.04735612 -0.14742811 -0.14275068 39 -861.49071016 -563.97894361 -889.82583663 Y 1.56565584 1.20942062 1.52801810 39 -7912.52866724 18969.99204866 -10114.01135938 Y 2.83261082 0.00076494 0.28293974 39 7922.46390411 -8670.33187584 -9333.35149069 Y 4.31146205 1.50589112 1.78583367 39 15789.23295611 -6671.44962112 -11056.49637255 Y 0.01305241 3.08026258 0.00516515 39 -7430.76818290 -7507.27867534 -8141.77743544 Y 1.18481846 4.34916092 1.29976251 39 7751.07313703 10368.19453610 5599.20382676 Y 2.99910575 3.03818722 0.03153249 39 166.96448031 -239.90629884 -2563.05281037 Y 4.58735865 4.02691729 1.80316877 39 4825.75084829 4748.35287928 -3161.96990711 Y 0.04066442 0.26482851 2.70227188 39 -10759.84998742 -6610.83474059 7850.34043252 Y 1.58334094 1.54985762 4.71113750 39 -1696.66119175 307.80104540 2547.29848402 Y 2.83449905 0.26660246 2.97044049 39 4099.75627700 -14207.64739466 11796.87017847 Y 4.25916130 1.68011105 4.40816053 39 4679.30504104 -1327.87462220 5570.07940414 Y 0.04170562 3.19522144 3.03675387 39 -3536.97065186 -2404.86221492 1449.87476493 Y 1.52966608 4.57726106 4.44387947 39 1067.82213145 1570.65223191 1497.62485118 Y 2.95337425 2.77260420 2.83148992 39 -14458.07858343 11480.44223086 7297.44803685 Y 4.70196450 4.48895834 4.29151574 39 353.97919943 758.72941489 1651.74523329