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{
"id": "jvasp-88123",
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"structure_string": "Ba3 Ta6 Si4 O23\n1.0\n9.155845 0.000000 0.000000\n-4.577923 7.929196 -0.000000\n0.000000 -0.000000 7.577091\nBa Ta Si O\n3 6 4 23\ndirect\n0.000000 0.590029 0.500000 Ba\n0.409972 0.409972 0.500000 Ba\n0.590029 0.000000 0.500000 Ba\n0.237418 0.000000 0.747488 Ta\n0.000000 0.237418 0.252512 Ta\n0.762583 0.762582 0.252512 Ta\n0.762583 0.762582 0.747488 Ta\n0.237418 0.000000 0.252512 Ta\n0.000000 0.237418 0.747488 Ta\n0.333334 0.666667 0.212408 Si\n0.666668 0.333333 0.212408 Si\n0.666668 0.333333 0.787592 Si\n0.333334 0.666667 0.787592 Si\n0.701259 0.514975 0.290618 O\n0.813717 0.298742 0.709382 O\n0.000000 0.826826 0.269502 O\n0.000000 0.826826 0.730498 O\n0.514975 0.701259 0.290618 O\n0.666668 0.333333 0.000000 O\n0.000000 0.279236 0.000000 O\n0.701259 0.514975 0.709382 O\n0.173175 0.173175 0.269502 O\n0.485026 0.186284 0.290618 O\n0.826826 0.000000 0.730498 O\n0.279236 0.000000 0.000000 O\n0.813717 0.298742 0.290618 O\n0.514975 0.701259 0.709382 O\n0.826826 0.000000 0.269502 O\n0.720765 0.720765 0.000000 O\n0.333334 0.666667 0.000000 O\n0.186284 0.485026 0.290618 O\n0.298742 0.813716 0.709382 O\n0.186284 0.485026 0.709382 O\n0.173175 0.173175 0.730498 O\n0.485026 0.186284 0.709382 O\n0.298742 0.813716 0.290618 O\n",
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{
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"structure_string": "Er4 B16 Rh16\n1.0\n6.870672 0.000000 -3.092204\n-1.391673 6.728252 -3.092204\n-0.018826 -0.023118 9.137359\nEr B Rh\n4 16 16\ndirect\n0.125000 0.375000 0.250000 Er\n0.875000 0.625000 0.750000 Er\n0.625000 0.875000 0.250001 Er\n0.374999 0.125000 0.750000 Er\n0.930547 0.872029 0.585269 B\n0.627970 0.569452 0.914732 B\n0.786760 0.069453 0.914732 B\n0.345279 0.786761 0.414732 B\n0.069452 0.127971 0.414732 B\n0.372029 0.430547 0.085269 B\n0.872029 0.654721 0.085269 B\n0.154721 0.372029 0.585268 B\n0.430547 0.713239 0.585269 B\n0.127970 0.345279 0.914732 B\n0.213239 0.930547 0.085269 B\n0.654721 0.213239 0.585269 B\n0.569452 0.286761 0.414732 B\n0.286761 0.845279 0.914732 B\n0.845279 0.627970 0.414732 B\n0.713239 0.154721 0.085269 B\n0.964965 0.176867 0.622660 Rh\n0.323133 0.535034 0.877340 Rh\n0.054207 0.035035 0.877340 Rh\n0.342305 0.054207 0.377340 Rh\n0.035035 0.823133 0.377340 Rh\n0.676867 0.464965 0.122660 Rh\n0.464965 0.445793 0.622660 Rh\n0.157694 0.676867 0.622660 Rh\n0.823132 0.342305 0.877340 Rh\n0.945793 0.964965 0.122661 Rh\n0.657694 0.945792 0.622660 Rh\n0.176867 0.657694 0.122660 Rh\n0.535035 0.554207 0.377341 Rh\n0.554207 0.842305 0.877341 Rh\n0.445793 0.157694 0.122660 Rh\n0.842305 0.323133 0.377341 Rh\n",
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{
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"structure_string": "Sr4 Li4 Fe4 F24\n1.0\n5.227057 0.000000 -0.194495\n0.000000 8.676328 0.000000\n0.020553 0.000000 10.260154\nSr Li Fe F\n4 4 4 24\ndirect\n0.251928 0.285767 0.499857 Sr\n0.748073 0.785767 0.000143 Sr\n0.251927 0.214234 0.999856 Sr\n0.748072 0.714234 0.500143 Sr\n0.285684 0.919385 0.740075 Li\n0.714316 0.419385 0.759924 Li\n0.714316 0.080615 0.259924 Li\n0.285684 0.580615 0.240075 Li\n0.784466 0.417601 0.250304 Fe\n0.215534 0.917601 0.249695 Fe\n0.784466 0.082399 0.750304 Fe\n0.215534 0.582399 0.749695 Fe\n0.074485 0.092921 0.648381 F\n0.490023 0.547074 0.638313 F\n0.391997 0.773812 0.353078 F\n0.509977 0.452927 0.361686 F\n0.006426 0.457516 0.638880 F\n0.074486 0.407079 0.148382 F\n0.608003 0.226188 0.646922 F\n0.006426 0.042485 0.138880 F\n0.364382 0.420485 0.847813 F\n0.993574 0.542485 0.361119 F\n0.880103 0.247889 0.354216 F\n0.635617 0.579516 0.152186 F\n0.993574 0.957516 0.861119 F\n0.490023 0.952927 0.138313 F\n0.635617 0.920485 0.652186 F\n0.364383 0.079516 0.347813 F\n0.119897 0.752112 0.645784 F\n0.509976 0.047074 0.861686 F\n0.880103 0.252111 0.854215 F\n0.925515 0.907079 0.351618 F\n0.119897 0.747889 0.145784 F\n0.391996 0.726188 0.853077 F\n0.925514 0.592921 0.851618 F\n0.608004 0.273812 0.146922 F\n",
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{
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"structure_string": "Rb2 Li14 Si4 O16\n1.0\n5.889986 -0.000000 -2.394278\n-0.025738 7.768024 -0.063317\n-0.002244 0.003471 8.436375\nRb Li Si O\n2 14 4 16\ndirect\n0.755497 0.531989 0.510993 Rb\n0.244504 0.468011 0.489006 Rb\n0.000000 0.000000 0.000000 Li\n0.643820 0.865673 0.287638 Li\n0.072335 0.865632 0.631640 Li\n0.559307 0.865632 0.631640 Li\n0.356181 0.134327 0.712361 Li\n0.440695 0.134368 0.368359 Li\n0.500000 0.000000 -0.000000 Li\n0.933007 0.709164 0.866012 Li\n0.676486 0.367242 0.860710 Li\n0.927666 0.134368 0.368359 Li\n0.066994 0.290836 0.133987 Li\n0.815775 0.632757 0.139290 Li\n0.184226 0.367242 0.860710 Li\n0.323515 0.632757 0.139290 Li\n0.852651 0.139236 0.705299 Si\n0.147350 0.860763 0.294700 Si\n0.429605 0.705670 0.859207 Si\n0.570396 0.294329 0.140792 Si\n0.978307 0.804949 0.394382 O\n0.182457 0.604646 0.802033 O\n0.380423 0.395353 0.197966 O\n0.616223 0.102142 0.232446 O\n0.817544 0.395353 0.197966 O\n0.416077 0.804949 0.394382 O\n0.583924 0.195050 0.605617 O\n0.871960 0.929529 0.743918 O\n0.383778 0.897857 0.767554 O\n0.021694 0.195050 0.605617 O\n0.533576 0.748626 0.067150 O\n0.052145 0.763539 0.104289 O\n0.619579 0.604646 0.802033 O\n0.128041 0.070471 0.256081 O\n0.947857 0.236461 0.895710 O\n0.466425 0.251373 0.932849 O\n",
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{
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"created_at": "2022-09-04T14:35:52.489066Z",
"updated_at": "2022-09-04T14:35:52.489082Z",
"structure_string": "Ca5 P12 Ir19\n1.0\n12.712717 0.000000 0.000000\n-6.356358 11.009536 -0.000000\n-0.000000 0.000000 4.014546\nCa P Ir\n5 12 19\ndirect\n0.000000 0.182100 0.500001 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.182100 -0.000000 0.500001 Ca\n0.817900 0.817900 0.500001 Ca\n0.642790 0.642790 0.000000 P\n0.000000 0.357210 0.000000 P\n0.310500 0.484785 0.500001 P\n0.484785 0.310500 0.500001 P\n0.515216 0.825715 0.500001 P\n0.825715 0.515216 0.500001 P\n0.689501 0.174285 0.500001 P\n0.357210 -0.000000 0.000000 P\n0.000000 0.819810 0.000000 P\n0.180191 0.180191 0.000000 P\n0.819810 -0.000000 0.000000 P\n0.174285 0.689501 0.500001 P\n0.196833 0.377750 0.000000 Ir\n0.538080 -0.000000 0.000000 Ir\n0.461920 0.461920 0.000000 Ir\n0.000000 0.538080 0.000000 Ir\n0.711427 -0.000000 0.500001 Ir\n0.288573 0.288573 0.500001 Ir\n0.000000 0.711427 0.500001 Ir\n0.180917 0.803167 0.000000 Ir\n0.803167 0.180917 0.000000 Ir\n0.819084 0.622250 0.000000 Ir\n0.131080 0.492819 0.500001 Ir\n0.507181 0.638260 0.500001 Ir\n0.361740 0.868921 0.500001 Ir\n0.868921 0.361740 0.500001 Ir\n0.638260 0.507181 0.500001 Ir\n0.377750 0.196833 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.622250 0.819084 0.000000 Ir\n0.492819 0.131080 0.500001 Ir\n",
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"structure_string": "Sr2 V12 O22\n1.0\n5.972979 0.000000 0.000000\n-2.986490 5.172751 -0.000000\n-0.000000 0.000000 13.319985\nSr V O\n2 12 22\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.500000 0.000000 0.500000 V\n-0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.644467 V\n0.666667 0.333333 0.250000 V\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.355532 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.144468 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.855532 V\n0.333333 0.666667 0.750000 V\n0.829795 0.170205 0.573184 O\n0.170205 0.340410 0.426816 O\n0.333333 0.666667 0.592515 O\n0.340410 0.170205 0.926816 O\n0.829795 0.659590 0.573184 O\n0.170205 0.829795 0.426816 O\n0.876830 0.123170 0.750000 O\n0.170205 0.340410 0.073184 O\n0.876830 0.753660 0.750000 O\n0.829795 0.170205 0.926816 O\n0.340410 0.170205 0.573184 O\n0.123170 0.876830 0.250000 O\n0.659590 0.829795 0.073184 O\n0.666667 0.333333 0.407485 O\n0.123170 0.246339 0.250000 O\n0.246339 0.123170 0.750000 O\n0.666667 0.333333 0.092515 O\n0.333333 0.666667 0.907485 O\n0.170205 0.829795 0.073184 O\n0.753660 0.876830 0.250000 O\n0.829795 0.659590 0.926816 O\n0.659590 0.829795 0.426816 O\n",
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"structure_string": "Sr4 Li4 Co4 F24\n1.0\n5.202844 0.000000 -0.184147\n0.000000 8.663208 0.000000\n0.028578 0.000000 10.249571\nSr Li Co F\n4 4 4 24\ndirect\n0.253280 0.283541 0.500287 Sr\n0.746719 0.783541 -0.000287 Sr\n0.253280 0.216459 0.000287 Sr\n0.746720 0.716459 0.499713 Sr\n0.284290 0.918701 0.740088 Li\n0.715710 0.418701 0.759912 Li\n0.715710 0.081299 0.259912 Li\n0.284289 0.581299 0.240088 Li\n0.783361 0.418043 0.251684 Co\n0.216639 0.918043 0.248316 Co\n0.783361 0.081957 0.751684 Co\n0.216639 0.581957 0.748316 Co\n0.072139 0.092563 0.649546 F\n0.491118 0.547258 0.638263 F\n0.391676 0.774943 0.351225 F\n0.508881 0.452742 0.361737 F\n0.009587 0.456542 0.639448 F\n0.072139 0.407437 0.149546 F\n0.608323 0.225057 0.648774 F\n0.009587 0.043458 0.139448 F\n0.363902 0.421542 0.847116 F\n0.990412 0.543458 0.360551 F\n0.879637 0.249553 0.354967 F\n0.636097 0.578458 0.152884 F\n0.990412 0.956542 0.860551 F\n0.491118 0.952742 0.138263 F\n0.636098 0.921542 0.652884 F\n0.363902 0.078458 0.347116 F\n0.120363 0.750448 0.645033 F\n0.508882 0.047258 0.861737 F\n0.879637 0.250448 0.854967 F\n0.927861 0.907437 0.350454 F\n0.120363 0.749553 0.145033 F\n0.391677 0.725058 0.851225 F\n0.927861 0.592564 0.850454 F\n0.608323 0.274943 0.148774 F\n",
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