../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Mg O
AB_oI48_72_3j_3j
a b/a c/a x1 y1 x2 y2 x3 y3 x4 y4 x5 y5 x6 y6
standard
1
21.6124 0.28527605 0.19516111 0.95240624 0.83353017 0.79064237 0.83435111 0.37183815 0.16477261 0.87177363 0.66519361 0.45243077 0.32885612 0.29062048 0.33440807
Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000