Split (1)

train · 45.2k rows

text stringlengths 140 560
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<forme>-0.37<forme><bg>0.12<bg><abc>5.073 5.073 5.073<abc><angles>60.000 60.000 60.000<angles><comp>Na3 As1<comp><coord>Na 0.750 0.750 0.750 Na 0.500 0.500 0.500 Na 0.250 0.250 0.250 As 0.000 0.000 0.000 <coord>
<forme>-0.98<forme><bg>0.0<bg><abc>7.502 7.502 7.820<abc><angles>104.785 105.923 116.616<angles><comp>Ti5 Te8<comp><coord>Ti 0.786 0.286 0.500 Ti 0.214 0.714 0.500 Ti 0.768 0.258 0.026 Ti 0.232 0.742 0.974 Ti 0.000 0.000 0.000 Te 0.772 0.555 0.327 Te 0.228 0.445 0.673 Te 0.223 0.461 0.173 Te 0.777 0.539 0.827 Te 0.289 0.051 0.827 Te 0.711 0.949 0.173 Te 0.302 0.033 0.334 Te 0.698 0.967 0.666 <coord>
<forme>-1.08<forme><bg>0.0<bg><abc>5.450 5.450 5.450<abc><angles>60.000 60.000 60.000<angles><comp>Y2 Pt4<comp><coord>Y 0.750 0.750 0.750 Y 0.000 0.000 0.000 Pt 0.375 0.375 0.375 Pt 0.375 0.875 0.375 Pt 0.375 0.375 0.875 Pt 0.875 0.375 0.375 <coord>
<forme>-0.27<forme><bg>0.0<bg><abc>5.031 10.947 10.947<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 Tl8 Hg8<comp><coord>Sr 0.000 0.354 0.354 Sr 0.000 0.646 0.646 Sr 0.500 0.854 0.146 Sr 0.500 0.146 0.854 Tl 0.000 0.643 0.028 Tl 0.000 0.357 0.972 Tl 0.500 0.528 0.857 Tl 0.500 0.143 0.472 Tl 0.500 0.472 0.143 Tl 0.500 0.857 0.528 Tl 0.000 0.028 0.643 Tl 0.000 0.972 0.357 Hg 0.000 0.689 0.311 Hg 0.000 0.311 0.689 Hg 0.500 0.811 0.811 Hg 0.500 0.189 0.189 Hg 0.000 0.094 0.094 Hg 1.000 0.906 0.906 Hg 0.500 0.594 0.406 Hg 0.500 0.406 0.594 <coord>
<forme>-0.03<forme><bg>0.0<bg><abc>3.218 5.179 8.494<abc><angles>90.000 100.921 90.000<angles><comp>Mg5 In1<comp><coord>Mg 0.001 0.000 0.001 Mg 0.334 0.000 0.667 Mg 0.665 0.000 0.331 Mg 0.445 0.500 0.891 Mg 0.111 0.500 0.222 In 0.777 0.500 0.555 <coord>

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