19 lines
1.0 KiB
Plaintext
19 lines
1.0 KiB
Plaintext
$energy SCF SCFKIN SCFPOT
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1 -3165.407049481 3151.384875191 -6316.791924672
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2 -3165.412600119 3151.261907220 -6316.674507339
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3 -3165.413906065 3151.177241119 -6316.591147184
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4 -3165.416844186 3151.144938398 -6316.561782584
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5 -3165.416844209 3151.144709236 -6316.561553445
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6 -3165.416862283 3151.130001676 -6316.546863959
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7 -3165.416863834 3151.127592339 -6316.544456173
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8 -3165.416863925 3151.127607032 -6316.544470957
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9 -3165.416863947 3151.127416540 -6316.544280487
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10 -3172.325717666 3167.598735230 -6339.924452896
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11 -3172.330173470 3167.787034189 -6340.117207658
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12 -3172.330682577 3167.883507088 -6340.214189665
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13 -3172.330709304 3167.869023185 -6340.199732489
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14 -3172.330713497 3167.865984160 -6340.196697657
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15 -3172.330714318 3167.868657421 -6340.199371739
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16 -3172.330714475 3167.868974236 -6340.199688711
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$end
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