16 Lattice="4.237853 4.237853 3.353386 4.237853 -4.237853 -3.353386 -4.237853 4.237853 -3.353386" Properties=species:S:1:pos:R:3:forces:R:3 energy=-76.65724433625677 stress="-0.02295717562954418 0.0041727301076900656 -0.0006442896639577646 0.0041727301076900656 -0.022949830383767255 -0.0006422309270508397 -0.0006442896639577646 -0.0006422309270508397 -0.028352586885771025" dipole="-5.7232206428437946e-05 3.53160680632301e-05 -0.0002123004166733504" pbc="T T T" K -0.00000000 0.00000000 -1.67669000 0.00537098 -0.00573119 -0.00011050 K 4.23785000 0.00000000 -1.67669000 -0.00306913 -0.00337351 0.02665945 K -0.00000000 4.23785000 -1.67669000 0.00378869 0.00326137 -0.02668465 K -0.00000000 0.00000000 -5.03008000 -0.00582331 0.00583493 0.00009276 O 6.37931000 0.53814000 0.00000000 -0.14932491 0.32104035 0.00085369 O 6.11783000 1.87998000 0.00000000 -0.20113053 -0.19866599 0.00872703 O 0.53814000 2.09639000 -0.00000000 0.32170985 0.04737938 0.00802498 O 4.77599000 2.14147000 0.00000000 0.32336969 -0.14787214 -0.00351081 O 1.87998000 2.35788000 -0.00000000 -0.26816992 0.26999636 -0.00327843 O 2.14147000 3.69972000 -0.00000000 -0.04525510 -0.32258784 -0.00851062 O 2.09639000 0.53814000 -3.35339000 0.04495537 0.31986589 0.00852356 O 2.35788000 1.87998000 -3.35339000 0.26615549 -0.26783805 0.00327935 O -0.53814000 2.09639000 -3.35339000 -0.32155958 0.14772420 0.00352298 O 3.69972000 2.14147000 -3.35339000 -0.31910444 -0.04709081 -0.00801640 O -1.87998000 2.35788000 -3.35339000 0.19969461 0.19705281 -0.00873151 O -2.14147000 3.69972000 -3.35339000 0.14923074 -0.31914774 -0.00084287