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[
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[
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false,
false,
false
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"H",
"Li",
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0.4,
0.2,
0.2,
0.2
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17,
17,
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[
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0.05606889726048231,
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false,
false
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0.16666666666666666
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11,
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7,
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1
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[
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1.11... | [
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false,
false
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"C",
"H",
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0.16666666666666666,
0.16666666666666666,
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1
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[
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0.008882948576776229,
0.375272368... | [
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false,
false
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1
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[
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0.1083394716307516,
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0.2,
0.2,
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0.2
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[
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[
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[
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[
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-1.2398450643012298,
-0.00002317796182269624
],
[
-2.063481594864977,
0.24469003400967004,
0.0... | [
false,
false,
false
] | H5B2MgP | B2H5MgP | A5B2CD | [
"B",
"H",
"Mg",
"P"
] | [
0.2222222222222222,
0.5555555555555556,
0.1111111111111111,
0.1111111111111111
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15,
5,
12,
1,
1,
1,
1,
1
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0,
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PO_a7e24dd45caf50ad475c07c6d | a7e24dd45caf50ad475c07c6d416a4376bdb829af9073494585637af4b59faf9bb1ddceb1db8363ef7d57520ab41ef969c321cc2658df8997b9a7e113df577b4 | 2026-05-11T20:57:01 | DS_doigyz3mlwnb_0 | 1 | Molpro 2024.1 | W1-F12/CCSD(T)-CBS | null | null | null | null | null | null | null | null | 23.093637 | null | null | null | CO_d123fbaa52f3bc951d46cd206 | d123fbaa52f3bc951d46cd206734bc7fe611ea76be7d60be12b5d22fb60a5cb2c608733f45df0c173d4069c35489167af4936d671ba209a76ba94403c67cabdc | 977e5c7afc4b6c970a01898e39bd772be22518d99ddab7810aeaf881ea88fdb20eed1f2a3372cef6e26041fd5a6246e6331dfb05861c367e81f8de8eab4a6e61 | [
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[
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[
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[
-1.6977156986593143,
0.6925088572929687,
-0.0023296391... | [
false,
false,
false
] | H3AlBeLiOP | AlBeH3LiOP | A3BCDEF | [
"Al",
"Be",
"H",
"Li",
"O",
"P"
] | [
0.125,
0.125,
0.375,
0.125,
0.125,
0.125
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3,
8,
13,
15,
1,
1,
1
] | 8 | 6 | 0 | [
0,
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0
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PO_13cf4256843c98208abf7fc58 | 13cf4256843c98208abf7fc587ae2f8d1b4deeab0047861223a2cc621c407f66832d2bf4486c94490c04125eb1479f1eff381b5c096334f7fcd812dd1b7c71d1 | 2026-05-11T20:57:01 | DS_doigyz3mlwnb_0 | 1 | Molpro 2024.1 | W1-F12/CCSD(T)-CBS | null | null | null | null | null | null | null | null | 12.546038 | null | null | null | CO_94e587d264b80644ec787fb1d | 94e587d264b80644ec787fb1dcd64561bfee6ddc207948e8821b0a558e5f82414ebf9000e8cd3e0d184d0a93074e63871159f1ccb6acaedaf72dea46849ec6ce | ada76e4b8e3ed6df7ea5587bd8dd5f2d2b0fd617671155f9927fa1df20c26bfd87d73c037073abd0440ebf5db11d31c3dd0a3471b49d8f85e761508a7e59e206 | [
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[
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[
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[
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-0.31731370054188734,
-0.0053... | [
false,
false,
false
] | HAl2PSi | Al2HPSi | A2BCD | [
"Al",
"H",
"P",
"Si"
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0.4,
0.2,
0.2,
0.2
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15,
13,
13,
1
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[
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[
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0.3757713513568038,
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[
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-0.019544699888002285,
0.295584594... | [
false,
false,
false
] | C2H3FSi | C2FH3Si | A3B2CD | [
"C",
"F",
"H",
"Si"
] | [
0.2857142857142857,
0.14285714285714285,
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0.14285714285714285
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14,
6,
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1,
1,
1
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0,
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"MSR-ACC-TAE25_All__0104d70112c63956f6fe229ea52f3b17704ef4f9"
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PO_c69a3f9b662df3172534423d6 | c69a3f9b662df3172534423d6fc107bd791a63faddffaa7d62e4dcb2c8a2decf39acacdcf6f6ec9c85029993282c8de5c73783bf228f4aac08a3287bc3fc1e8a | 2026-05-11T20:57:01 | DS_doigyz3mlwnb_0 | 1 | Molpro 2024.1 | W1-F12/CCSD(T)-CBS | null | null | null | null | null | null | null | null | 26.543173 | null | null | null | CO_53877602d83831f101b3d5ab8 | 53877602d83831f101b3d5ab84622565930e0483bff948fbcd6a1e864d5c305f30b55c11543499a51c8c941a80888acea39952e372aa4973eccca35a3e74b4e7 | e77bd8bb27d34ff5f29dc8f5dcb7c9f73e083d4fa504140458b58193fc23576859d3e0c237634eaaf54623f849ab2f0d659cc1208c860ef174687783170ecbbd | [
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[
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[
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[
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0.025522423244606178,
-0.038839321... | [
false,
false,
false
] | H5AlNPSi | AlH5NPSi | A5BCDE | [
"Al",
"H",
"N",
"P",
"Si"
] | [
0.1111111111111111,
0.5555555555555556,
0.1111111111111111,
0.1111111111111111,
0.1111111111111111
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14,
13,
15,
1,
1,
1,
1,
1
] | 9 | 5 | 0 | [
0,
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"MSR-ACC-TAE25_All__010608e8ee46dbee62dd3dbe11f20a55294d5df0"
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PO_ec9cffe50c67ae4373536301d | ec9cffe50c67ae4373536301d33c86654aaa35d45146e8e6b60b58939cf81ccfe5dea22821504bdb183de04e82385c541bcecc7e3ff48793343c04ba463cd77f | 2026-05-11T20:57:01 | DS_doigyz3mlwnb_0 | 1 | Molpro 2024.1 | W1-F12/CCSD(T)-CBS | null | null | null | null | null | null | null | null | 20.564777 | null | null | null | CO_3de8d3a528d97f36a0484a9a0 | 3de8d3a528d97f36a0484a9a005118043521cbede417f80f1f9e39d0ab7ee941de940e5fbfecc8ff56a536cbc859ac349ebd1896429e2dd4172036e402977208 | 96ece7912ed30985fcc74e9723736be21891a6e28915409f11dcf4936960ebe9b6dda9e48e3e4a4a2758f47e9a8953156e7e5d13878e86373d3e80ffe5416034 | [
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[
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[
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],
[
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-0.14413303402860614,
-0.0... | [
false,
false,
false
] | H2AlNOSi | AlH2NOSi | A2BCDE | [
"Al",
"H",
"N",
"O",
"Si"
] | [
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
0.16666666666666666
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14,
13,
8,
1,
1
] | 6 | 5 | 0 | [
0,
0,
0
] | [
"MSR-ACC-TAE25_All__01060d63d6d729586972cbb931bb8ac8f5b273c0"
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PO_deb1f70dafe9f30dafb2961e0 | deb1f70dafe9f30dafb2961e0351313344413fbe71742f9ccbc30cac095b78fcc33526c894de60c5af441c413e10352776845fd55a85f127eb250bf16884a128 | 2026-05-11T20:57:01 | DS_doigyz3mlwnb_0 | 1 | Molpro 2024.1 | W1-F12/CCSD(T)-CBS | null | null | null | null | null | null | null | null | 24.684632 | null | null | null | CO_81595152473399580d2832110 | 81595152473399580d2832110e7e30a73d478f5d35f1e441f4d75b644a65de38f9d541e41f63be13ca7e71a48a9c099950aab70970114277c8af6387b20b6f72 | cc2cbcd43bd2ea475a76ff23ba4674a64d238d463ca5780b77d9541dfdd63d0ac8a262223e8e2686fb790debf7360ebd6a3ab9e4cb9c47320d3b24b525915a03 | [
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[
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[
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[
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0.1438150461510062,
-0.00... | [
false,
false,
false
] | CH3LiN2 | CH3LiN2 | A3B2CD | [
"C",
"H",
"Li",
"N"
] | [
0.14285714285714285,
0.42857142857142855,
0.14285714285714285,
0.2857142857142857
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3,
6,
7,
7,
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1
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] | [
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