68 lines
4.5 KiB
Plaintext
68 lines
4.5 KiB
Plaintext
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H2 far from Mo2C surface
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1.00000000000000
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17.7369999999999983 0.0000000000000000 0.0000000000000000
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0.0000000000000000 12.0860000000000003 0.0000000000000000
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0.0000000000000000 0.0000000000000000 10.4359999999999999
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C Mo H
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16 32 8
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Selective dynamics
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Direct
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0.0000000000000000 0.1890000000000001 0.1250000000000000 F F F
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0.0000000000000000 0.3109999999999999 0.3750000000000000 F F F
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0.0000000000000000 0.6890000000000001 0.1250000000000000 F F F
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0.0000000000000000 0.8109999999999999 0.3750000000000000 F F F
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0.0000000000000000 0.1890000000000001 0.6250000000000000 F F F
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0.0000000000000000 0.3109999999999999 0.8750000000000000 F F F
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0.0000000000000000 0.6890000000000001 0.6250000000000000 F F F
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0.0000000000000000 0.8109999999999999 0.8750000000000000 F F F
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0.1320119929516228 0.0593457408891106 0.3747810153898691 T T T
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0.1339040209268587 0.4382431092148634 0.1246005476156678 T T T
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0.1346014460976624 0.5607842949985916 0.3745985782632549 T T T
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0.1318895420043087 0.9396115085588336 0.1252676705134894 T T T
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0.1339355733708381 0.0614996876186402 0.8750674941722374 T T T
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0.1331797503730110 0.4386650366715458 0.6233685812881605 T T T
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0.1342318012489764 0.5598322800816591 0.8735113412793347 T T T
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0.1332329912804981 0.9394597661817066 0.6219321527751450 T T T
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0.0656989344308485 0.0609999999999999 0.0394999999999968 F F F
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0.0678354851440517 0.1890000000000001 0.2894999999999968 F F F
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0.0678354851440517 0.3109999999999999 0.0394999999999968 F F F
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0.0656989344308485 0.4390000000000001 0.2894999999999968 F F F
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0.0656989344308485 0.5609999999999999 0.0394999999999968 F F F
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0.0678354851440517 0.6890000000000001 0.2894999999999968 F F F
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0.0678354851440517 0.8109999999999999 0.0394999999999968 F F F
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0.0656989344308485 0.9390000000000001 0.2894999999999968 F F F
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0.0656989344308485 0.0609999999999999 0.5394999999999968 F F F
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0.0678354851440517 0.1890000000000001 0.7894999999999968 F F F
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0.0678354851440517 0.3109999999999999 0.5394999999999968 F F F
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0.0656989344308485 0.4390000000000001 0.7894999999999968 F F F
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0.0656989344308485 0.5609999999999999 0.5394999999999968 F F F
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0.0678354851440517 0.6890000000000001 0.7894999999999968 F F F
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0.0678354851440517 0.8109999999999999 0.5394999999999968 F F F
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0.0656989344308485 0.9390000000000001 0.7894999999999968 F F F
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0.1899635985462743 0.0715452722381709 0.2056722342975337 T T T
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0.1898701472331455 0.1926721066860241 0.4654860691830805 T T T
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0.1890518958956355 0.3062937312891991 0.2197815432962685 T T T
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0.1906584487652120 0.4229511228223711 0.4545465799678731 T T T
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0.1906005809118210 0.5730889081693626 0.2024716224638729 T T T
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0.1882343850141806 0.6932841047230595 0.4700914833922938 T T T
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0.1899240393588936 0.8093603028954814 0.2175916994709843 T T T
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0.1937641502147673 0.9295111734818007 0.4540488978640193 T T T
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0.1907908420520039 0.0711821519253457 0.7037129217433928 T T T
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0.1867802362246722 0.1982063494207132 0.9667270103755806 T T T
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0.1891879480762782 0.3077078845148332 0.7201952360379164 T T T
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0.1912388918870658 0.4251711384205735 0.9517544247373603 T T T
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0.1966550503624373 0.5724834144836694 0.7011711849035441 T T T
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0.1895418326796766 0.6922556995684713 0.9703854872411387 T T T
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0.1868396807657923 0.8086011749407832 0.7199966590158274 T T T
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0.1915129559134146 0.9256614081688295 0.9541573084958859 T T T
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0.2500652879714319 0.8090456263635705 0.0545641575316365 T T T
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0.2513392081223993 0.3046808670438062 0.0566045935240033 T T T
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0.2479311638705096 0.0586269752411525 0.5320845315351295 T T T
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0.2476814460919670 0.6895986355994584 0.8084849185407729 T T T
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0.2492806440460436 0.3073980778169251 0.5556385058448301 T T T
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0.2477965431497549 0.6936376688880892 0.3079168908739140 T T T
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0.2835729538717008 0.5931327070274096 0.6083376880979403 T T T
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0.2963206835887032 0.5407372680262799 0.6781487631358020 T T T
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# H2 molecule far above surface (z ≈ 0.95)
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0.5000000000000000 0.5000000000000000 0.9500000000000000 T T T
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0.5000000000000000 0.5000000000000000 0.9300000000000000 T T T
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