ASE database

Displaying rows 101-18 out of 18
↓ ID ✕ Formula ✕ Energy ✕ PBC ✕ Maximum force ✕ Maximum stress ✕
101 C60H24 -617.594 TTT 0.935 0.001
102 C60H24 -620.184 TTT 0.110 0.000
103 C60H24 -620.395 TTT 1.391 0.003
104 C60H24 -621.436 TTT 1.001 0.002
105 C60H24 -620.141 TTT 0.445 0.001
106 C60H24 -619.459 TTT 1.057 0.005
107 C60H24 -620.162 TTT 0.718 0.001
108 C60H24 -619.929 TTT 0.817 0.004
109 C60H24 -618.910 TTT 0.752 0.000
110 C60H24 -623.037 TTT 0.364 0.002
111 C60H24 -533.595 TTT 13.598 0.631
112 C60H24 -621.943 TTT 0.008 0.000
113 C60H24 -623.638 TTT 0.010 0.000
114 C60H24 -622.597 TTT 0.009 0.000
115 C60H24 -621.097 TTT 0.722 0.001
116 C60H24 -623.414 TTT 0.356 0.000
117 C60H24 -614.824 TTT 0.324 0.000
118 C60H24 -616.410 TTT 0.166 0.000
119 C60H24 -616.110 TTT 0.348 0.000
120 C60H24 -615.559 TTT 0.164 0.000
121 C60H24 -616.335 TTT 0.268 0.000
122 C60H24 -620.341 TTT 0.010 0.000
123 C60H24 -618.772 TTT 0.338 0.001
124 C60H24 -615.353 TTT 0.063 0.000
125 C60H24 -618.136 TTT 0.008 0.000