ASE database

Displaying rows 101-18 out of 18
↓ ID ✕ Formula ✕ Energy ✕ PBC ✕ Maximum force ✕
101 C60H24 -617.594 TTT 0.935
102 C60H24 -620.184 TTT 0.110
103 C60H24 -620.395 TTT 1.391
104 C60H24 -621.436 TTT 1.001
105 C60H24 -620.141 TTT 0.445
106 C60H24 -619.459 TTT 1.057
107 C60H24 -620.162 TTT 0.718
108 C60H24 -619.929 TTT 0.817
109 C60H24 -618.910 TTT 0.752
110 C60H24 -623.037 TTT 0.364
111 C60H24 -533.595 TTT 13.598
112 C60H24 -621.943 TTT 0.008
113 C60H24 -623.638 TTT 0.010
114 C60H24 -622.597 TTT 0.009
115 C60H24 -621.097 TTT 0.722
116 C60H24 -623.414 TTT 0.356
117 C60H24 -614.824 TTT 0.324
118 C60H24 -616.410 TTT 0.166
119 C60H24 -616.110 TTT 0.348
120 C60H24 -615.559 TTT 0.164
121 C60H24 -616.335 TTT 0.268
122 C60H24 -620.341 TTT 0.010
123 C60H24 -618.772 TTT 0.338
124 C60H24 -615.353 TTT 0.063
125 C60H24 -618.136 TTT 0.008