| Path |
Digest |
Size |
| jax_xc-0.0.11.dist-info/METADATA |
sha256=aryLXRb2iiF1lPml6AqNkjRe_h9jZoys3D8LnADSDlM
|
12941 |
| jax_xc-0.0.11.dist-info/RECORD |
— |
— |
| jax_xc-0.0.11.dist-info/WHEEL |
sha256=xWkci0CGytJ5PQhPK35tbmjP3h3-sWQ0sVn5NlvjSY4
|
101 |
| jax_xc/__init__.py |
sha256=a__DwwuDkiv07gHvzARcpF_4Y4eNh4JF0P0vbeXLL1Q
|
354 |
| jax_xc/experimental.py |
sha256=e7_HQRm-UEtCth1NNcYYbT6x-b_mqGwiLhYFlChy8j4
|
715706 |
| jax_xc/functionals.py |
sha256=r1GFs4Kuje6SwT7O7M-efDC73kjunN_X0SR1vlP1LrA
|
1297012 |
| jax_xc/impl/__init__.py |
sha256=ZxRE42WaVaQ0GDcu5ZeuqWFxVVDDnjgDSqd-jxF_J-w
|
529 |
| jax_xc/impl/gga_c_acgga.py |
sha256=7JSlzbyiBYaXELnxu1-Mftis1wroA0rD92M7ef2j6gI
|
5102 |
| jax_xc/impl/gga_c_acggap.py |
sha256=AA9P1spjdrRBKHg0A1-dnTA-Aw1rfSSHv_LoJFx2Nng
|
5421 |
| jax_xc/impl/gga_c_am05.py |
sha256=OPZLAS648oNcuh_DdxMs1pTmjoOx2hnEE1TNBK5bDMo
|
4080 |
| jax_xc/impl/gga_c_bmk.py |
sha256=rXrFgDRJK0DRN8gg5v798aYl_Kjn0gP5I37S2dwgFoQ
|
8938 |
| jax_xc/impl/gga_c_ccdf.py |
sha256=_Bg6XdpxmOxGVXxVj6vfie1GfMRy8baoYu-4SBSYi1I
|
1637 |
| jax_xc/impl/gga_c_chachiyo.py |
sha256=p0IPPGe2aH2zezBgcdNz3JY_0WLQ8-2c69ld4U-qSZE
|
2761 |
| jax_xc/impl/gga_c_cs1.py |
sha256=eSyUu-QdSHbH2aAygi-NvdLJrCwLAkKZKA0Af1TLPaQ
|
2504 |
| jax_xc/impl/gga_c_ft97.py |
sha256=Q5MPj8OFM9JSVhiuhVUP0PkOicB22GAGxmhnKZEayWE
|
8463 |
| jax_xc/impl/gga_c_gapc.py |
sha256=wU8th2BMlL318rb876Zh1PQr4KubeknPL_RI6jjnerM
|
10685 |
| jax_xc/impl/gga_c_gaploc.py |
sha256=7QNd2NHzPgwsz6E5VmH3_-g9ByUjDO4ApCYgBS0c890
|
10500 |
| jax_xc/impl/gga_c_hcth_a.py |
sha256=iUCXXg0SIJpw98VyEgts3dDhO94Dz317LEmTtjynAZ4
|
8968 |
| jax_xc/impl/gga_c_lm.py |
sha256=jV15sqNtzjnRZMHM4OB-eNFrZlIEPzhXee-fUCqBYWY
|
4003 |
| jax_xc/impl/gga_c_lyp.py |
sha256=ju3W30PjyWMkpXLAmPztjbcvFx6m2QEgTk48E3dl6dc
|
3620 |
| jax_xc/impl/gga_c_lypr.py |
sha256=GV99L37OXEiuOdEXSlI5z5p2eu8_nWItY-RRkbG2YmU
|
4474 |
| jax_xc/impl/gga_c_op_b88.py |
sha256=eEWrJmBcE62EMvrvVxJk3dra_pWvoBVer61VdBYZOBY
|
4341 |
| jax_xc/impl/gga_c_op_g96.py |
sha256=kqfVKOh8qQliYso20i6yWUbAjLyLTCcaM8Vqirx40BM
|
4090 |
| jax_xc/impl/gga_c_op_pbe.py |
sha256=Yni__EUDU-aMwMLj-VKHqaWKH4ySUYPzVYbUxCnPR_A
|
4276 |
| jax_xc/impl/gga_c_op_pw91.py |
sha256=MEm4IHhm4KirbUKExBqCrI1EdpMDEB24HH8jfFhHeO0
|
5505 |
| jax_xc/impl/gga_c_op_xalpha.py |
sha256=R2QLM5yE9yTI5432BQGRvgC_83rjMac_U33exU3t66g
|
3622 |
| jax_xc/impl/gga_c_optc.py |
sha256=YR7Far6-2BciPbosqzpXDAkUXIuzeszTgV_DAN59Qns
|
13118 |
| jax_xc/impl/gga_c_p86.py |
sha256=uEVOvQP3tKM9szQu44gzi4AVLv1mVruxjlJnp8POm_U
|
4170 |
| jax_xc/impl/gga_c_p86vwn.py |
sha256=ppha2_TAU7E_fVL-VtXei25X4aTie2lLKZKkkw4FxwE
|
5367 |
| jax_xc/impl/gga_c_pbe.py |
sha256=h-b8TnS66LVvxN3c-OBPE6x0P86r3M97T6DTMU5APrE
|
4489 |
| jax_xc/impl/gga_c_pbe_vwn.py |
sha256=PNLVJcYbyA7ho0mAKNUxZqhQEV2Z7l1-yEh-pR5Mky4
|
5381 |
| jax_xc/impl/gga_c_pbeloc.py |
sha256=_2gZHFqgcJjFo6p3koQXit5k7d-lzz3mS4k00ufCWiI
|
4968 |
| jax_xc/impl/gga_c_pw91.py |
sha256=BLQu2M7KkczZNDcJfzkNY2pGasUoAAvS7f3TWWtIlio
|
5993 |
| jax_xc/impl/gga_c_q2d.py |
sha256=Aw7XS1Jp8GfoLIkA7MsBXGD6w8TTJd0f3pFJGlixaao
|
7766 |
| jax_xc/impl/gga_c_regtpss.py |
sha256=Xa9lwrI9wE9GJtAgg7KqRKE5nptZruxWKonTEZeW8eA
|
4837 |
| jax_xc/impl/gga_c_revtca.py |
sha256=BZl7gEL4Zol38EHnxN2pXBd4bLVxuCr_NGOSqNEqr80
|
3310 |
| jax_xc/impl/gga_c_scan_e0.py |
sha256=5JLagzgQqCiut1un6VV2QRJPa4LpXxc3hqxPTyBEma8
|
4444 |
| jax_xc/impl/gga_c_sg4.py |
sha256=Bi98V0v9SO9H2aMcREPN2ekTG2Q3TefOhhlfqIaCRgk
|
5119 |
| jax_xc/impl/gga_c_sogga11.py |
sha256=3VQ4B1RQ_9U6v1HsCW-iRqpdzDrQltdv3koSRH27Y6E
|
4688 |
| jax_xc/impl/gga_c_tca.py |
sha256=MEITv2AThjxErcvyMGzbFESTDZyfaUI3PlyCeTP4Y2o
|
2488 |
| jax_xc/impl/gga_c_w94.py |
sha256=tBRqcZuGHFQ__nPJKvDkV2TSBNNLW9-px8v9WyT_VJk
|
2069 |
| jax_xc/impl/gga_c_wi.py |
sha256=jPGubrPGFoOxL6lT9cQGSHleIWLZ7oVNTAlqtW9H0CM
|
1992 |
| jax_xc/impl/gga_c_wl.py |
sha256=XnkctDYvpHTF8eboCOANyGeuuGu9dSqHm8mO_BRKGM4
|
1747 |
| jax_xc/impl/gga_c_zpbeint.py |
sha256=UfifxliJslG8M9J34Spw4IpOFNbdhitupj6AZgVg0DA
|
4902 |
| jax_xc/impl/gga_c_zvpbeint.py |
sha256=NqbSlPUuDWBd42Au0Wc3Qb7lxBgEPuKDWooGeki-DFg
|
5208 |
| jax_xc/impl/gga_c_zvpbeloc.py |
sha256=Mxp1lCfguh7ltuxCkZuXWJr0KU_84AzyKrA05AI7jmk
|
5640 |
| jax_xc/impl/gga_k_apbe.py |
sha256=RY9G-jGAuDCDTbDD0C5BOJTiOz8BCE1JiggDIubOIgQ
|
3194 |
| jax_xc/impl/gga_k_apbeint.py |
sha256=v0LL6cnq5Fjzbg9ihRxcjBkdxLZtahmbDMc2Jd1QLHU
|
3706 |
| jax_xc/impl/gga_k_dk.py |
sha256=Nu1owi8NHOZDLFdgXeeKzweK2ZOIpqIOIPwVmYikxAs
|
4107 |
| jax_xc/impl/gga_k_exp4.py |
sha256=GWRi05ZIKFy0KXD49zVoA2NvxSwzPkzaXegzBFsFBIQ
|
3596 |
| jax_xc/impl/gga_k_lc94.py |
sha256=CG-PoPF695el5S6CnaCEFBDSg_aISoAIKQ_MILeaNU4
|
4223 |
| jax_xc/impl/gga_k_lgap.py |
sha256=i36McD6W5l-2vhxEfabYSP3qBggR-83f1oH6L-rOGIM
|
3658 |
| jax_xc/impl/gga_k_lgap_ge.py |
sha256=he7ZjKWpQRL4bRWc510AwSZ5GoD-CFIJMDV-IQVaHuc
|
3515 |
| jax_xc/impl/gga_k_lkt.py |
sha256=e593vdESGYzJIlLAlCPZtcyP8mLlDCIk4ISa44_q1II
|
3488 |
| jax_xc/impl/gga_k_llp.py |
sha256=BsrkvB6JA7Wl8rf9qObkpraUPm0JQUZLnR_4Fg-sWA4
|
3365 |
| jax_xc/impl/gga_k_meyer.py |
sha256=QhcXNAAD8g6CY36Vh91Ihl4gdlROFSW3KTnLgI-3pLc
|
3831 |
| jax_xc/impl/gga_k_mpbe.py |
sha256=9T-_yUAF_cB4gPVGm6qd0ShP-mdtAXdIV6KVUdxZ08Q
|
3995 |
| jax_xc/impl/gga_k_ol1.py |
sha256=1XWKWTcOnpMPdDEq_n7okOgb00Jj9jnL9OGVqO6sMBQ
|
3228 |
| jax_xc/impl/gga_k_ol2.py |
sha256=G9kCu9YYQGT3ua7r4eEQAwXnfbKhLlLni3pTT6oLPIY
|
3200 |
| jax_xc/impl/gga_k_pearson.py |
sha256=BW2rnO2w-0JoIc0Qz-pnt52ZOVxPpgH7qmw9w9secag
|
3357 |
| jax_xc/impl/gga_k_pg.py |
sha256=wl5bicHPVMQIY786AHfygp4gOCUYWY1JgnGd3EJZtCc
|
3270 |
| jax_xc/impl/gga_k_pw86.py |
sha256=u6qzVlmVIqR_o69J_b3A3qzpins3ujQtZ5Zds__sCVs
|
3713 |
| jax_xc/impl/gga_k_rational_p.py |
sha256=v7YXl5liTPOALUNT0JlmcmJOqpEF_hn3dxqoDFFrvHs
|
3135 |
| jax_xc/impl/gga_k_tflw.py |
sha256=u9azYLtUSmCbsxYV2d794Ds5mp874Q0gCL65nSN3_lE
|
3082 |
| jax_xc/impl/gga_k_thakkar.py |
sha256=_ghca0bWLFSfnhMH24pbxWyig5INAJGPQoNO_5orzIE
|
3371 |
| jax_xc/impl/gga_k_vt84f.py |
sha256=a3uT3agaafVQLruG7uHluUbcFfbVDUvP969zdrmWf48
|
4836 |
| jax_xc/impl/gga_x_2d_b86.py |
sha256=FxOPTrI3D3V7lr0q0FCbrkUGn1FM7CcAxr9T4n61Rf0
|
2607 |
| jax_xc/impl/gga_x_2d_b86_mgc.py |
sha256=U7O1twzzBfhTFhPy3nx1dGgdWb7OveoXEk0h75NRc94
|
2853 |
| jax_xc/impl/gga_x_2d_b88.py |
sha256=K30ePIAq-ehijV3FkGOvAWQg-x-K5qH6eTjYubLoDI8
|
2898 |
| jax_xc/impl/gga_x_2d_pbe.py |
sha256=x3483nHXZDfofRj0SzYRnb3vzXmAWqz6-utIc1OZhUo
|
2647 |
| jax_xc/impl/gga_x_airy.py |
sha256=ESe1V2j5uGJYujk_ynWv5Ie1nZtE_MdhULtwBcYgnWs
|
3750 |
| jax_xc/impl/gga_x_ak13.py |
sha256=7sh1e9ZCggqIr9wRUGSNoA8dHFTHyu1Ve8PoufMVg4c
|
3296 |
| jax_xc/impl/gga_x_am05.py |
sha256=xoR4w6FOKafj5o0d_7-8Dks7rm0yjMvduflmamDOQGI
|
5029 |
| jax_xc/impl/gga_x_b86.py |
sha256=zG-s-SxkppZK2G35x6ThvZKy9kDfJa3FWAbx6p4ex04
|
2872 |
| jax_xc/impl/gga_x_b88.py |
sha256=iEera_LzLQpKAM6DhRtCyD0LDceUif3riycMevz3uOw
|
3246 |
| jax_xc/impl/gga_x_bayesian.py |
sha256=fxxxwkVmFDT2CkCaS4-hfmJHV2_uQJ4hExYXtu3GSHQ
|
3460 |
| jax_xc/impl/gga_x_beefvdw.py |
sha256=cPX7xuYx-ZiFqILp5yRCvlDM0EpBQmHiaW-UQhuaiIQ
|
7161 |
| jax_xc/impl/gga_x_bpccac.py |
sha256=PgH7f0YKmitcM-SQK50LWfINpH3vLNlgCHEvfKLfbnk
|
4701 |
| jax_xc/impl/gga_x_c09x.py |
sha256=YQyxeFLq4khPWP6X1W2_zDuvd1NrgkvoR5QJNJC6Nso
|
3299 |
| jax_xc/impl/gga_x_cap.py |
sha256=nQmiqdhISxshCZulSJwU3DHj9K7SMQkAjD-USGGT__Y
|
3155 |
| jax_xc/impl/gga_x_chachiyo.py |
sha256=p91Hxa7pZjXJvPD6A7--h5z7g563604OG8ZQ-etA0VQ
|
3215 |
| jax_xc/impl/gga_x_dk87.py |
sha256=c5G-iWrwQ6Kuq_fFr_rNmPjg2J5ZJzN-34t3flL8aFE
|
3526 |
| jax_xc/impl/gga_x_ev93.py |
sha256=RAG8WvbBh4z5qXdB2IF48fimUoRKVarhksTw2NMV_Jo
|
4015 |
| jax_xc/impl/gga_x_fd_lb94.py |
sha256=eZSxRz_CuyAVFNMMD3qF7VmogsOBrWFN3giTBSweOdk
|
3177 |
| jax_xc/impl/gga_x_ft97.py |
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|
4021 |
| jax_xc/impl/gga_x_g96.py |
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2911 |
| jax_xc/impl/gga_x_gg99.py |
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6002 |
| jax_xc/impl/gga_x_hcth_a.py |
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|
3465 |
| jax_xc/impl/gga_x_herman.py |
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2872 |
| jax_xc/impl/gga_x_hjs.py |
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|
11781 |
| jax_xc/impl/gga_x_hjs_b88_v2.py |
sha256=6IpgHckzwV6TWKVcrS8_tm1cWpz_uTZ5NZxqD2xYCeU
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10082 |
| jax_xc/impl/gga_x_htbs.py |
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|
5779 |
| jax_xc/impl/gga_x_ityh.py |
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|
5872 |
| jax_xc/impl/gga_x_ityh_optx.py |
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5713 |
| jax_xc/impl/gga_x_ityh_pbe.py |
sha256=-MXsldF3XGM7ilB7Vwh3sOAlbaqCNYopc5dA1tUTkAI
|
5805 |
| jax_xc/impl/gga_x_kt.py |
sha256=cqmdNYItJsu2CEB7JtLsCa2rUaNrlvsC6mrxwgQvARA
|
3182 |
| jax_xc/impl/gga_x_lag.py |
sha256=q5FcgE_EzaOhttBZAkeVY8lABgEIiCCuyZmN3nhfU08
|
3044 |
| jax_xc/impl/gga_x_lb.py |
sha256=RTxbhopQxFVjJDbmgKky_g5Bo2b-VjTWSmZW_3U5U2E
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2053 |
| jax_xc/impl/gga_x_lg93.py |
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|
4594 |
| jax_xc/impl/gga_x_lspbe.py |
sha256=d-mXpEH8MHFWE6X5KKOc_-4NXMLtUj530_10Sn-JHPU
|
3378 |
| jax_xc/impl/gga_x_lsrpbe.py |
sha256=JfGgaCt_ed30o_4KmJQmd5_HO5u6tJjK7pt2aD0nnZ0
|
3468 |
| jax_xc/impl/gga_x_lv_rpw86.py |
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4211 |
| jax_xc/impl/gga_x_mpbe.py |
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3832 |
| jax_xc/impl/gga_x_n12.py |
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5861 |
| jax_xc/impl/gga_x_ncap.py |
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|
3732 |
| jax_xc/impl/gga_x_ol2.py |
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|
3045 |
| jax_xc/impl/gga_x_optx.py |
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|
3014 |
| jax_xc/impl/gga_x_pbe.py |
sha256=8DhGlAdiOZ1UmXgEgQ5WQzd4tLxtT16aSBRKkmrNlqE
|
3038 |
| jax_xc/impl/gga_x_pbea.py |
sha256=TUPTMGDzf8Mef-AOi60ZocoHs2XB56jhTpiVVVxqvi0
|
2800 |
| jax_xc/impl/gga_x_pbeint.py |
sha256=gJ6VjqnQIj73peRAHXCynaXqcAGNjzkWcGfRR7zLMpc
|
3550 |
| jax_xc/impl/gga_x_pbepow.py |
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|
3336 |
| jax_xc/impl/gga_x_pbetrans.py |
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|
3543 |
| jax_xc/impl/gga_x_pw86.py |
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3553 |
| jax_xc/impl/gga_x_pw91.py |
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|
4063 |
| jax_xc/impl/gga_x_q1d.py |
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|
3958 |
| jax_xc/impl/gga_x_q2d.py |
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|
3960 |
| jax_xc/impl/gga_x_rge2.py |
sha256=kIOb2L-hYVAE-Tma1A9pvIb47fZOHcW6E44S8k0Ckws
|
3271 |
| jax_xc/impl/gga_x_rpbe.py |
sha256=GQ4YTl8CSRurAT-CPKTeowXlTb3VTLDarzs_ZQ_B2dc
|
3077 |
| jax_xc/impl/gga_x_s12.py |
sha256=3vw9NHAvjwC-Q-2-DJPpnok2kx-VdEszWuVx4sxHuhs
|
3202 |
| jax_xc/impl/gga_x_sfat.py |
sha256=rG5mbos-c-b_I9D3ih2-2Di1jriiLcFI4xjQC6F8nvk
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6773 |
| jax_xc/impl/gga_x_sfat_pbe.py |
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6613 |
| jax_xc/impl/gga_x_sg4.py |
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3809 |
| jax_xc/impl/gga_x_sogga11.py |
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|
4245 |
| jax_xc/impl/gga_x_ssb_sw.py |
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|
3658 |
| jax_xc/impl/gga_x_vmt.py |
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7380 |
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6103 |
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2823 |
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6589 |
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7699 |
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6055 |
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6515 |
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10196 |
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5106 |
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2546 |
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2770 |
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6354 |
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15423 |
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6278 |
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11630 |
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9262 |
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4265 |
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1645 |
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2146 |
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3964 |
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1142 |
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1517 |