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{
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{
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{
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"structure_string": "Ca1 Zr4 P6 O24\n1.0\n7.735302 -0.016000 4.862760\n2.678874 7.256638 4.862760\n-0.023013 -0.016000 9.136784\nCa Zr P O\n1 4 6 24\ndirect\n0.500000 0.500000 0.500000 Ca\n0.351958 0.351958 0.351958 Zr\n0.861311 0.861311 0.861311 Zr\n0.648041 0.648042 0.648042 Zr\n0.138689 0.138689 0.138689 Zr\n0.528569 0.954373 0.257773 P\n0.742227 0.471430 0.045627 P\n0.954373 0.257773 0.528570 P\n0.045627 0.742228 0.471430 P\n0.471430 0.045627 0.742227 P\n0.257772 0.528570 0.954373 P\n0.958641 0.076950 0.692609 O\n0.982015 0.241630 0.356344 O\n0.591627 0.422621 0.237584 O\n0.017985 0.758371 0.643655 O\n0.894266 0.684194 0.509386 O\n0.356344 0.982015 0.241630 O\n0.758370 0.643656 0.017985 O\n0.762416 0.408373 0.577379 O\n0.643656 0.017985 0.758370 O\n0.684194 0.509386 0.894266 O\n0.237584 0.591627 0.422621 O\n0.490614 0.105733 0.315806 O\n0.509386 0.894267 0.684194 O\n0.923049 0.307391 0.041359 O\n0.241630 0.356345 0.982015 O\n0.315806 0.490614 0.105733 O\n0.076950 0.692609 0.958640 O\n0.041359 0.923050 0.307391 O\n0.692608 0.958641 0.076951 O\n0.408373 0.577379 0.762416 O\n0.422621 0.237584 0.591627 O\n0.105733 0.315806 0.490614 O\n0.307391 0.041359 0.923049 O\n0.577378 0.762416 0.408373 O\n",
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"structure_string": "Ca2 Zr2 Ge2 O10\n1.0\n6.932075 -0.058722 -2.859198\n-0.098251 4.649850 3.545618\n0.101980 -4.581451 3.211276\nCa Zr Ge O\n2 2 2 10\ndirect\n0.795128 0.817423 0.153168 Ca\n0.204873 0.182578 0.846832 Ca\n0.500000 0.500001 0.500000 Zr\n0.000000 0.500001 0.500000 Zr\n0.251219 0.825889 0.185271 Ge\n0.748782 0.174113 0.814730 Ge\n0.249809 0.430004 0.602598 O\n0.750192 0.569997 0.397403 O\n0.052749 0.743839 0.899362 O\n0.947251 0.256163 0.100638 O\n0.396712 0.127173 0.212409 O\n0.603290 0.872829 0.787592 O\n0.620425 0.389299 0.810881 O\n0.379576 0.610703 0.189120 O\n0.870138 0.160661 0.567252 O\n0.129863 0.839340 0.432749 O\n",
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{
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"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
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{
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"created_at": "2022-09-04T14:38:15.990276Z",
"updated_at": "2022-09-04T14:38:15.990305Z",
"structure_string": "Ca2 Zn2 Si4 O12\n1.0\n5.188176 -0.008054 1.054569\n1.237006 6.544896 0.614301\n-0.007874 0.027170 6.688977\nCa Zn Si O\n2 2 4 12\ndirect\n0.250001 0.699909 0.300092 Ca\n0.750001 0.300093 0.699908 Ca\n0.250001 0.094268 0.905732 Zn\n0.750001 0.905733 0.094268 Zn\n0.770681 0.379988 0.193308 Si\n0.729321 0.806693 0.620013 Si\n0.229321 0.620013 0.806692 Si\n0.270681 0.193308 0.379987 Si\n0.355520 0.026532 0.206815 O\n0.144481 0.793186 0.973468 O\n0.509226 0.329224 0.371692 O\n0.673498 0.610534 0.111169 O\n0.826504 0.888832 0.389467 O\n0.326504 0.389467 0.888831 O\n0.173498 0.111169 0.610533 O\n0.009226 0.371692 0.329224 O\n0.490776 0.670777 0.628308 O\n0.990776 0.628309 0.670777 O\n0.855521 0.206815 0.026532 O\n0.644482 0.973469 0.793185 O\n",
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{
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"structure_string": "Ca2 Zn2 S2 O2\n1.0\n1.881124 -3.258203 -0.000000\n1.881124 3.258203 0.000000\n0.000000 -0.000000 11.424227\nCa Zn S O\n2 2 2 2\ndirect\n0.333332 0.666666 0.729607 Ca\n0.666666 0.333332 0.229607 Ca\n0.000000 0.000000 0.499443 Zn\n0.000000 0.000000 0.999444 Zn\n0.666666 0.333332 0.915634 S\n0.333332 0.666666 0.415634 S\n0.000000 0.000000 0.167625 O\n0.000000 0.000000 0.667625 O\n",
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"structure_string": "Ca1 Zn2 P2 O2\n1.0\n4.491826 0.000313 -0.000003\n-2.245641 3.889566 -0.000000\n0.000381 0.000219 6.974195\nCa Zn P O\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333367 0.666684 0.251798 Zn\n0.666634 0.333317 0.748203 Zn\n0.333330 0.666665 0.749102 P\n0.666671 0.333335 0.250899 P\n0.333263 0.666631 0.526388 O\n0.666739 0.333369 0.473613 O\n",
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{
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"structure_string": "Ca4 Zn2 Ge4 O14\n1.0\n8.015407 0.000000 0.000000\n0.000000 8.015407 -0.000000\n0.000000 0.000000 5.197548\nCa Zn Ge O\n4 2 4 14\ndirect\n0.334407 0.834407 0.507765 Ca\n0.165593 0.334407 0.492235 Ca\n0.834407 0.665593 0.492235 Ca\n0.665593 0.165593 0.507765 Ca\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.145588 0.645589 0.943989 Ge\n0.354412 0.145588 0.056011 Ge\n0.645589 0.854412 0.056011 Ge\n0.854412 0.354412 0.943989 Ge\n0.000000 0.500000 0.795398 O\n0.500000 0.000000 0.204603 O\n0.639294 0.860706 0.720596 O\n0.860706 0.360706 0.279404 O\n0.086353 0.827605 0.771325 O\n0.172395 0.086353 0.228675 O\n0.327605 0.586353 0.771325 O\n0.913648 0.172395 0.771325 O\n0.586353 0.672396 0.228675 O\n0.413647 0.327605 0.228675 O\n0.139294 0.639294 0.279404 O\n0.672396 0.413647 0.771325 O\n0.827605 0.913648 0.228675 O\n0.360706 0.139294 0.720596 O\n",
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{
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"structure_string": "Ca3 Zn1 Ge5 O14\n1.0\n-0.036230 -0.000000 -5.127211\n0.000000 -8.063721 -0.000000\n-6.985374 4.031860 0.050783\nCa Zn Ge O\n3 1 5 14\ndirect\n-0.000000 0.729640 0.000000 Ca\n-0.000033 0.898466 0.584464 Ca\n0.000034 0.314002 0.415535 Ca\n-0.000000 0.314091 0.000000 Zn\n0.499829 0.552309 0.238426 Ge\n0.500171 0.313882 0.761573 Ge\n0.477237 0.647325 0.666704 Ge\n0.522763 0.980621 0.333295 Ge\n0.500000 0.075746 0.000000 Ge\n0.741800 0.464610 0.918585 O\n0.258201 0.546024 0.081415 O\n0.184961 0.980755 0.333411 O\n0.815039 0.647344 0.666589 O\n0.258196 0.232685 0.150565 O\n0.741804 0.082121 0.849435 O\n0.688154 0.777218 0.321554 O\n0.311835 0.850726 0.858242 O\n0.311846 0.455663 0.678445 O\n0.311668 0.635448 0.463307 O\n0.258407 0.163397 0.768209 O\n0.741594 0.395188 0.231791 O\n0.688165 0.992482 0.141757 O\n0.688333 0.172141 0.536693 O\n",
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{
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"updated_at": "2022-09-04T14:38:11.260546Z",
"structure_string": "Ca4 Zn4 Cu2 P6\n1.0\n2.026239 -3.509547 0.000000\n2.026239 3.509547 -0.000000\n0.000000 0.000000 21.427027\nCa Zn Cu P\n4 4 2 6\ndirect\n0.000000 0.000000 0.658923 Ca\n0.000000 0.000000 0.341077 Ca\n0.000000 0.000000 0.158923 Ca\n0.000000 0.000000 0.841077 Ca\n0.333333 0.666667 0.956847 Zn\n0.666667 0.333333 0.456847 Zn\n0.666667 0.333333 0.043153 Zn\n0.333333 0.666667 0.543153 Zn\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.576332 P\n0.333333 0.666667 0.423669 P\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.923669 P\n0.333333 0.666667 0.076331 P\n0.666667 0.333333 0.250000 P\n",
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{
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}
]
}