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{
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{
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"structure_string": "Ba14 Si2 B6 N2 O26\n1.0\n5.668767 -9.818592 0.000000\n5.668767 9.818592 0.000000\n0.000000 0.000000 7.479080\nBa Si B N O\n14 2 6 2 26\ndirect\n0.124357 0.861653 0.194608 Ba\n0.046757 0.524281 0.852158 Ba\n0.477523 0.953243 0.852158 Ba\n0.138347 0.262704 0.194608 Ba\n0.333333 0.666667 0.490480 Ba\n0.475719 0.522477 0.852158 Ba\n0.262704 0.124357 0.694608 Ba\n0.737296 0.875643 0.194608 Ba\n0.524281 0.477523 0.352158 Ba\n0.861653 0.737296 0.694608 Ba\n0.522477 0.046757 0.352158 Ba\n0.666667 0.333333 0.990480 Ba\n0.953243 0.475719 0.352158 Ba\n0.875643 0.138347 0.694608 Ba\n0.333333 0.666667 0.082704 Si\n0.666667 0.333333 0.582704 Si\n0.174651 0.814202 0.639957 B\n0.185798 0.360450 0.639957 B\n0.639550 0.825349 0.639957 B\n0.360450 0.174651 0.139957 B\n0.814202 0.639550 0.139957 B\n0.825349 0.185798 0.139957 B\n0.000000 0.000000 0.479573 N\n0.000000 0.000000 0.979573 N\n0.149831 0.855756 0.803393 O\n0.079019 0.688803 0.566252 O\n0.294685 0.896010 0.544528 O\n0.186812 0.643217 0.161168 O\n0.103990 0.398675 0.544528 O\n0.144244 0.294076 0.803393 O\n0.333333 0.666667 0.859579 O\n0.456405 0.813188 0.161168 O\n0.356783 0.543595 0.161168 O\n0.311197 0.390217 0.566252 O\n0.609783 0.920981 0.566252 O\n0.294076 0.149831 0.303393 O\n0.398675 0.294685 0.044528 O\n0.601325 0.705315 0.544528 O\n0.705924 0.850169 0.803393 O\n0.390217 0.079019 0.066252 O\n0.688803 0.609783 0.066252 O\n0.643217 0.456405 0.661168 O\n0.543595 0.186812 0.661168 O\n0.855756 0.705924 0.303393 O\n0.666667 0.333333 0.359579 O\n0.896010 0.601325 0.044528 O\n0.813188 0.356783 0.661168 O\n0.705315 0.103990 0.044528 O\n0.920981 0.311197 0.066252 O\n0.850169 0.144244 0.303393 O\n",
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{
"id": "mp-553990",
"created_at": "2022-09-04T14:47:28.100863Z",
"structure_string": "Ba8 B4 N8 O2\n1.0\n3.692599 -7.953939 0.000000\n3.692599 7.953939 0.000000\n0.000000 0.000000 7.419524\nBa B N O\n8 4 8 2\ndirect\n0.325734 0.674266 0.500000 Ba\n0.693194 0.693194 0.193209 Ba\n0.306806 0.306806 0.806791 Ba\n0.193194 0.193194 0.306791 Ba\n0.825734 0.174266 0.000000 Ba\n0.674266 0.325734 0.500000 Ba\n0.806806 0.806806 0.693209 Ba\n0.174266 0.825734 0.000000 Ba\n0.362674 0.637326 0.000000 B\n0.637326 0.362674 0.000000 B\n0.137326 0.862674 0.500000 B\n0.862674 0.137326 0.500000 B\n0.994904 0.263174 0.628531 N\n0.763174 0.494904 0.871469 N\n0.494904 0.763174 0.871469 N\n0.505096 0.236825 0.128531 N\n0.005096 0.736825 0.371469 N\n0.263174 0.994904 0.628531 N\n0.736826 0.005096 0.371469 N\n0.236826 0.505096 0.128531 N\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-695553",
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"structure_string": "Ba4 Nd7 Si12 B1 N27\n1.0\n6.168413 -10.684006 0.000000\n6.168413 10.684006 0.000000\n0.000000 0.000000 5.475729\nBa Nd Si B N\n4 7 12 1 27\ndirect\n0.921436 0.488863 0.500000 Ba\n0.511137 0.432573 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n0.567427 0.078564 0.500000 Ba\n0.780217 0.023844 0.000000 Nd\n0.677396 0.705626 0.000000 Nd\n0.028230 0.322604 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.976156 0.756373 0.000000 Nd\n0.243627 0.219783 0.000000 Nd\n0.294374 0.971770 0.000000 Nd\n0.493247 0.796483 0.000000 Si\n0.757702 0.263297 0.000000 Si\n0.678659 0.871372 0.500000 Si\n0.875476 0.186017 0.500000 Si\n0.813983 0.689459 0.500000 Si\n0.736703 0.494405 0.000000 Si\n0.192713 0.321341 0.500000 Si\n0.303237 0.506753 0.000000 Si\n0.128628 0.807287 0.500000 Si\n0.310541 0.124524 0.500000 Si\n0.203517 0.696763 0.000000 Si\n0.505595 0.242298 0.000000 Si\n0.000000 0.000000 0.000000 B\n0.247620 0.962839 0.500000 N\n0.133978 0.727457 0.245685 N\n0.133978 0.727457 0.754315 N\n0.037161 0.284781 0.500000 N\n0.187048 0.550226 0.000000 N\n0.873542 0.888965 0.000000 N\n0.015423 0.126458 0.000000 N\n0.363178 0.812952 0.000000 N\n0.272543 0.406521 0.245685 N\n0.272543 0.406521 0.754315 N\n0.205933 0.183598 0.500000 N\n0.111035 0.984577 0.000000 N\n0.449774 0.636822 0.000000 N\n0.593479 0.866022 0.754315 N\n0.593479 0.866022 0.245685 N\n0.400194 0.179630 0.241190 N\n0.400194 0.179630 0.758810 N\n0.715219 0.752380 0.500000 N\n0.576758 0.402184 0.000000 N\n0.779436 0.599806 0.241190 N\n0.779436 0.599806 0.758810 N\n0.597816 0.174574 0.000000 N\n0.977664 0.794067 0.500000 N\n0.825426 0.423242 0.000000 N\n0.820370 0.220564 0.758810 N\n0.820370 0.220564 0.241190 N\n0.816402 0.022336 0.500000 N\n",
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{
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{
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{
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"structure_string": "Ba1 Ni12 B6\n1.0\n3.739156 -4.838231 0.000000\n3.739156 4.838231 0.000000\n-2.521207 0.000000 5.570752\nBa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.132333 0.500000 0.867667 Ni\n0.187715 0.465148 0.465148 Ni\n0.500000 0.867667 0.132333 Ni\n0.465148 0.187715 0.465148 Ni\n0.534852 0.812285 0.534852 Ni\n0.812285 0.534852 0.534852 Ni\n0.534852 0.534852 0.812285 Ni\n0.500000 0.132333 0.867667 Ni\n0.867667 0.500000 0.132333 Ni\n0.132333 0.867667 0.500000 Ni\n0.465148 0.465148 0.187715 Ni\n0.867667 0.132333 0.500000 Ni\n0.768291 0.768291 0.350370 B\n0.231709 0.649630 0.231709 B\n0.231709 0.231709 0.649630 B\n0.649630 0.231709 0.231709 B\n0.350370 0.768291 0.768291 B\n0.768291 0.350370 0.768291 B\n",
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{
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{
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}