ASE database

ID Formula Volume Maximum stress Mass Maximum force PBC
46 C60H18 861.805 1.892 738.804 109.571 TTT
123 C60H18 1724.406 0.094 738.804 3.149 TTT
253 C60H18 1891.430 0.105 738.804 4.266 TTT
120 C60H18 1975.953 0.062 738.804 3.780 TTT
39 C60H18 1997.865 0.966 738.804 262.047 TTT
11 C60H18 3208.464 0.001 738.804 0.295 TTT
10 C60H18 3306.728 0.001 738.804 0.692 TTT
124 C60H18 3308.768 0.000 738.804 0.632 TTT
6 C60H18 3491.818 0.001 738.804 0.842 TTT
151 C60H18 3516.022 0.010 738.804 1.465 TTT
112 C60H18 3565.022 0.000 738.804 0.508 TTT
224 C60H18 3584.184 0.001 738.804 0.884 TTT
130 C60H18 3589.963 0.002 738.804 0.728 TTT
222 C60H18 3601.157 0.006 738.804 1.136 TTT
245 C60H18 3610.894 0.001 738.804 0.564 TTT
30 C60H18 3652.722 0.004 738.804 0.929 TTT
129 C60H18 3693.199 0.002 738.804 0.836 TTT
192 C60H18 3696.282 0.001 738.804 0.717 TTT
201 C60H18 3699.495 0.009 738.804 1.455 TTT
155 C60H18 3767.716 0.001 738.804 0.400 TTT
119 C60H18 3772.347 0.006 738.804 1.458 TTT
186 C60H18 3800.311 0.006 738.804 0.970 TTT
181 C60H18 3813.034 0.002 738.804 1.068 TTT
100 C60H18 3833.608 0.001 738.804 0.876 TTT
104 C60H18 3861.119 0.001 738.804 0.563 TTT