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{
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"structure_string": "Ca1 B2 H10 N2\n1.0\n5.009719 0.110219 0.296338\n3.128358 3.914436 0.296338\n0.034065 0.016847 6.305270\nCa B H N\n1 2 10 2\ndirect\n0.448141 0.551859 0.000000 Ca\n0.790020 0.865404 0.216345 B\n0.134596 0.209981 0.783655 B\n0.571960 0.693486 0.423527 H\n0.306515 0.428040 0.576474 H\n0.630778 0.060258 0.682559 H\n0.939743 0.369222 0.317442 H\n0.037052 0.807327 0.305283 H\n0.192673 0.962949 0.694718 H\n0.836361 0.469940 0.742814 H\n0.530061 0.163638 0.257187 H\n0.849511 0.857592 0.020415 H\n0.142408 0.150490 0.979585 H\n0.716369 0.616333 0.284247 N\n0.383667 0.283631 0.715754 N\n",
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{
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"structure_string": "Li4 Fe2 O4 F2\n1.0\n1.413929 -2.448998 -0.000000\n1.413929 2.448998 0.000000\n0.000000 0.000000 14.023486\nLi Fe O F\n4 2 4 2\ndirect\n0.666667 0.333333 0.835196 Li\n0.333333 0.666667 0.164804 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.332762 Fe\n0.333333 0.666667 0.667239 Fe\n0.666667 0.333333 0.592089 O\n0.333333 0.666667 0.407911 O\n0.000000 0.000000 0.257583 O\n0.000000 0.000000 0.742417 O\n0.666667 0.333333 0.082613 F\n0.333333 0.666667 0.917387 F\n",
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{
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{
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"structure_string": "Li1 F1\n1.0\n2.458817 -0.000000 1.419599\n0.819606 2.318195 1.419599\n-0.000000 -0.000000 2.839197\nLi F\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:35:53.037342Z",
"updated_at": "2022-09-04T14:35:53.037374Z",
"structure_string": "Li3 Fe1 O4\n1.0\n2.796486 -0.009216 -0.002064\n0.016438 4.923484 -0.009332\n0.008230 1.471308 4.698490\nLi Fe O\n3 1 4\ndirect\n0.993395 0.998860 0.001957 Li\n0.493405 0.998745 0.501901 Li\n0.993410 0.498791 0.501996 Li\n0.493411 0.498831 0.002002 Fe\n0.993377 0.723299 0.777521 O\n0.493409 0.727947 0.231114 O\n0.993429 0.274344 0.226474 O\n0.493402 0.269718 0.772903 O\n",
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"structure_string": "Li3 Fe1 O4\n1.0\n3.608092 -0.046026 -3.443790\n-0.692032 3.541404 -3.443790\n0.038398 0.046026 4.987639\nLi Fe O\n3 1 4\ndirect\n0.750000 0.249999 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.499999 -0.000001 Li\n0.000000 0.000000 0.000000 Fe\n0.000001 0.500000 0.500000 O\n0.215719 0.215718 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.784281 0.784280 -0.000001 O\n",
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"structure_string": "Fe4 H8 O8\n1.0\n3.128321 0.000204 -0.526812\n1.543744 5.385102 -0.381308\n0.006766 0.124008 9.600389\nFe H O\n4 8 8\ndirect\n0.435188 0.491504 0.505152 Fe\n0.171296 0.258497 0.744851 Fe\n0.935333 -0.008673 0.005144 Fe\n0.671151 0.758674 0.244858 Fe\n0.238480 0.406896 0.027084 H\n0.479400 0.676589 0.778991 H\n0.979081 0.176871 0.278854 H\n0.738291 0.907065 0.527098 H\n0.868173 0.842928 0.722901 H\n0.127065 0.073407 0.471009 H\n0.367979 0.343105 0.222915 H\n0.627374 0.573131 0.971143 H\n0.533368 0.517830 0.728239 O\n0.317132 0.498574 0.276606 O\n0.073114 0.232167 0.521762 O\n0.817256 -0.001595 0.776588 O\n0.573255 0.732014 0.021771 O\n0.033224 0.017989 0.228228 O\n0.789226 0.751592 0.473413 O\n0.289351 0.251428 0.973395 O\n",
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{
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"structure_string": "Li7 Si2 Ni3 O12\n1.0\n-4.219873 -2.436344 -0.006364\n-4.217872 2.432878 -0.003182\n1.395631 0.805767 -9.448169\nLi Si Ni O\n7 2 3 12\ndirect\n0.673448 0.666668 0.996837 Li\n0.916665 0.666668 0.750000 Li\n0.835128 0.342764 0.502816 Li\n0.322108 0.342764 0.997184 Li\n0.159882 0.666668 0.503162 Li\n0.511223 0.990572 0.502816 Li\n0.998202 0.990573 0.997183 Li\n0.583388 0.333222 0.750000 Si\n0.249943 0.000112 0.750000 Si\n0.751375 -0.002751 0.250000 Ni\n0.081957 0.336085 0.250000 Ni\n0.416666 0.666667 0.250000 Ni\n0.252868 0.295519 0.644390 O\n0.795245 0.666668 0.370448 O\n0.712025 0.338357 0.138164 O\n0.951609 0.295520 0.855610 O\n0.511365 0.666668 0.644576 O\n0.881721 0.037815 0.644390 O\n0.449617 0.338357 0.361835 O\n0.321965 0.666668 0.855423 O\n0.038086 0.666667 0.129552 O\n0.580463 0.037815 0.855610 O\n0.383715 -0.005023 0.138164 O\n0.121307 -0.005023 0.361836 O\n",
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}