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"structure_string": "Ti8 O16\n1.0\n2.978453 -0.000000 0.000000\n-0.000000 4.723078 0.000000\n0.000000 0.000000 18.825155\nTi O\n8 16\ndirect\n0.749999 0.567396 0.930653 Ti\n0.250000 0.065691 0.811389 Ti\n0.749999 0.565691 0.688611 Ti\n0.250000 0.067396 0.569346 Ti\n0.749999 0.932605 0.430653 Ti\n0.250000 0.434309 0.311389 Ti\n0.749999 0.934310 0.188611 Ti\n0.250000 0.432604 0.069347 Ti\n0.749999 0.649340 0.116628 O\n0.749999 0.265875 0.261414 O\n0.250000 0.765875 0.238586 O\n0.250000 0.149339 0.383372 O\n0.749999 0.641402 0.360446 O\n0.250000 0.786311 0.484260 O\n0.749999 0.213690 0.515740 O\n0.250000 0.734125 0.738586 O\n0.749999 0.850661 0.616627 O\n0.749999 0.234125 0.761414 O\n0.250000 0.141401 0.139554 O\n0.250000 0.350661 0.883372 O\n0.749999 0.858599 0.860446 O\n0.250000 0.713690 0.984260 O\n0.250000 0.358599 0.639554 O\n0.749999 0.286310 0.015740 O\n",
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{
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{
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