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{
"id": "jvasp-43823",
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"structure_string": "Li1 V1 Fe1 P2 O8 F2\n1.0\n4.796747 -0.295323 1.646984\n-0.942251 4.941394 1.661357\n0.075451 -0.136365 7.350992\nLi V Fe P O F\n1 1 1 2 8 2\ndirect\n0.756391 0.388236 0.173680 Li\n0.002894 0.001450 0.994801 V\n0.000496 -0.006365 0.506123 Fe\n0.675029 0.365865 0.759459 P\n0.319279 0.637202 0.240754 P\n0.355182 0.214793 0.917218 O\n0.759988 0.237051 0.594753 O\n0.682744 0.666513 0.674430 O\n0.107018 0.665829 0.128569 O\n0.854209 0.316748 -0.102470 O\n0.327655 0.337392 0.326342 O\n0.252512 0.776649 0.399297 O\n0.636975 0.774817 0.077120 O\n0.871895 0.062065 0.257070 F\n0.127542 0.946336 0.741441 F\n",
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"structure_string": "Li3 Ti4 O8\n1.0\n4.924406 0.005312 0.000000\n-0.055409 4.958581 0.000000\n0.000000 0.000000 5.699779\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.500000 0.016473 Li\n0.500000 -0.000000 0.769339 Li\n0.500000 -0.000000 0.262315 Li\n0.500000 0.500000 0.755475 Ti\n0.000000 0.000000 0.515901 Ti\n0.500000 0.500000 0.276411 Ti\n0.000000 0.000000 0.015832 Ti\n0.185227 0.230126 0.772722 O\n0.185179 0.230169 0.259056 O\n0.682465 0.264472 0.015942 O\n0.814774 0.769873 0.772722 O\n0.814822 0.769830 0.259056 O\n0.671050 0.250668 0.515909 O\n0.328951 0.749331 0.515909 O\n0.317535 0.735527 0.015942 O\n",
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{
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"created_at": "2022-09-04T14:37:09.661940Z",
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"structure_string": "Na6 Mn1 Cl8\n1.0\n6.824514 0.000000 3.940134\n2.274838 6.434213 3.940134\n0.000000 0.000000 7.880271\nNa Mn Cl\n6 1 8\ndirect\n0.500000 -0.000000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.500000 -0.000000 Na\n0.500000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.749999 Cl\n0.769911 0.230089 0.230089 Cl\n0.769911 0.769911 0.230088 Cl\n0.230089 0.230089 0.769911 Cl\n0.769911 0.230089 0.769911 Cl\n0.230089 0.769911 0.230089 Cl\n0.230089 0.769911 0.769910 Cl\n",
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{
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"created_at": "2022-09-04T14:37:09.361769Z",
"updated_at": "2022-09-04T14:37:09.361787Z",
"structure_string": "Li6 Fe1 Cl8\n1.0\n6.240832 0.000000 3.603147\n2.080277 5.883914 3.603147\n-0.000000 0.000000 7.206293\nLi Fe Cl\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000001 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cl\n0.242999 0.242999 0.757001 Cl\n0.750000 0.750000 0.750001 Cl\n0.757001 0.242999 0.243000 Cl\n0.757001 0.757000 0.243000 Cl\n0.243000 0.757000 0.243000 Cl\n0.757001 0.242999 0.757001 Cl\n0.243000 0.757000 0.757001 Cl\n",
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{
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"structure_string": "Li3 Fe2 Cu2 O8\n1.0\n-5.501738 0.002885 0.093767\n-0.003201 -5.503642 -0.012725\n2.627020 2.739529 4.632583\nLi Fe Cu O\n3 2 2 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000001 0.000000 Cu\n0.282198 0.270179 0.540346 O\n0.262459 0.747231 0.494462 O\n0.702602 0.182863 0.907305 O\n0.702610 0.724450 0.907315 O\n0.297390 0.275550 0.092684 O\n0.297398 0.817137 0.092694 O\n0.737541 0.252769 0.505537 O\n0.717802 0.729821 0.459653 O\n",
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{
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"created_at": "2022-09-04T14:37:08.564268Z",
"updated_at": "2022-09-04T14:37:08.564292Z",
"structure_string": "Sr4 Ca1 Cr2 S2 O6\n1.0\n3.913749 -0.000000 -0.000000\n-0.000000 3.913749 0.000000\n0.000000 0.000000 16.538744\nSr Ca Cr S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.204120 Sr\n0.500000 0.000000 0.795880 Sr\n0.000000 0.500000 0.417113 Sr\n0.500000 0.000000 0.582887 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.319981 Cr\n0.000000 0.500000 0.680018 Cr\n0.500000 0.000000 0.113097 S\n0.000000 0.500000 0.886903 S\n0.500000 0.500000 0.302092 O\n0.000000 0.000000 0.301912 O\n0.000000 0.000000 0.698088 O\n0.500000 0.500000 0.697908 O\n0.500000 0.000000 0.434036 O\n0.000000 0.500000 0.565964 O\n",
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"created_at": "2022-09-04T14:37:15.075692Z",
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"structure_string": "Sr4 Mg1 Co2 S2 O6\n1.0\n3.809871 0.000000 0.000000\n0.000000 3.809914 0.000000\n0.000000 0.000000 16.306835\nSr Mg Co S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.192460 Sr\n0.500000 0.000000 0.807540 Sr\n0.000000 0.500000 0.416120 Sr\n0.500000 0.000000 0.583876 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.310154 Co\n0.000000 0.500000 0.689849 Co\n0.500000 0.000000 0.096766 S\n0.000000 0.500000 0.903237 S\n0.000000 0.000000 0.295419 O\n0.500000 0.500000 0.294404 O\n0.500000 0.500000 0.705582 O\n0.000000 0.000000 0.704591 O\n0.500000 0.000000 0.432335 O\n0.000000 0.500000 0.567667 O\n",
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{
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"updated_at": "2022-09-04T14:37:08.657875Z",
"structure_string": "Na1 Zr2 Mn1 F11\n1.0\n5.384131 0.011233 2.043074\n1.021118 5.286427 2.043074\n-0.002537 -0.002099 7.875680\nNa Zr Mn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.502607 0.502607 0.766985 Zr\n0.497393 0.497393 0.233014 Zr\n-0.000000 -0.000000 0.500000 Mn\n0.806431 0.222149 0.692669 F\n0.777851 0.193569 0.307330 F\n0.193569 0.777851 0.307330 F\n0.222149 0.806431 0.692669 F\n0.500000 0.500000 0.499999 F\n0.329784 0.670216 -0.000001 F\n0.670216 0.329784 -0.000001 F\n0.252687 0.252687 0.347720 F\n0.747313 0.747313 0.652279 F\n0.265117 0.265117 0.892815 F\n0.734883 0.734883 0.107184 F\n",
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"structure_string": "Cu8 O7\n1.0\n5.839706 -0.003291 -0.162243\n-0.003291 5.839706 -0.162243\n-2.777368 -2.777368 5.243041\nCu O\n8 7\ndirect\n0.011215 0.002851 0.009322 Cu\n0.991769 0.489448 0.982383 Cu\n0.510575 0.505606 0.517646 Cu\n0.510553 0.008232 0.517618 Cu\n0.494395 0.489426 0.982355 Cu\n0.501578 0.002860 0.009362 Cu\n0.997142 0.498423 0.490639 Cu\n0.997150 0.988786 0.490679 Cu\n0.122462 0.368923 0.741190 O\n0.126715 0.873285 0.750001 O\n0.631078 0.877539 0.758811 O\n0.376964 0.623037 0.250001 O\n0.392871 0.139219 0.282260 O\n0.876757 0.123244 0.250001 O\n0.860783 0.607130 0.217741 O\n",
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"created_at": "2022-09-04T14:37:07.401836Z",
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"structure_string": "Li3 Y3 Zr1 O8\n1.0\n-2.192554 2.192554 5.283445\n2.192554 -2.192554 5.283445\n4.314448 4.314448 -10.566889\nLi Y Zr O\n3 3 1 8\ndirect\n0.258196 0.758195 0.258196 Li\n0.500000 0.500000 0.500000 Li\n0.241804 0.741803 0.741804 Li\n0.746563 0.246564 0.246564 Y\n0.000000 0.000000 0.500000 Y\n0.753435 0.253436 0.753436 Y\n0.000000 0.000000 0.000000 Zr\n0.002398 0.452237 0.257098 O\n0.511799 0.061958 0.257098 O\n0.205009 0.205009 -0.000000 O\n0.794990 0.794990 -0.000000 O\n0.215665 0.215665 0.500000 O\n0.784335 0.784335 0.500000 O\n0.547763 0.997602 0.742902 O\n0.938041 0.488201 0.742902 O\n",
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}