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            "structure_string": "Ni12 B28 Cl4 O52\n1.0\n8.585843 0.000000 0.000000\n0.000000 8.600070 0.000000\n0.000000 0.000000 12.159307\nNi B Cl O\n12 28 4 52\ndirect\n0.250251 0.756283 0.713550 Ni\n0.467603 0.982937 0.990904 Ni\n0.532397 0.482937 0.990904 Ni\n0.467603 0.517063 0.490904 Ni\n0.032691 0.517004 0.492825 Ni\n0.032691 0.982996 0.992825 Ni\n0.749749 0.256283 0.713550 Ni\n0.749749 0.243717 0.213550 Ni\n0.250251 0.743717 0.213550 Ni\n0.532397 0.017063 0.490904 Ni\n0.967309 0.017004 0.492825 Ni\n0.967309 0.482996 0.992825 Ni\n0.245843 0.244123 0.486682 B\n0.403134 0.246131 0.658582 B\n0.249925 0.455074 0.840510 B\n0.096101 0.252155 0.159594 B\n0.596866 0.753869 0.158582 B\n0.245843 0.255877 0.986682 B\n0.754157 0.755877 0.986682 B\n0.750737 0.906787 0.312092 B\n0.754157 0.744123 0.486682 B\n0.750075 0.955074 0.840510 B\n0.498293 0.999685 0.239070 B\n0.249925 0.044926 0.340510 B\n0.096101 0.247845 0.659594 B\n0.596866 0.746131 0.658582 B\n0.750737 0.593213 0.812092 B\n0.903899 0.752155 0.159594 B\n0.750075 0.544926 0.340510 B\n0.249263 0.093213 0.812092 B\n0.501707 0.499685 0.239070 B\n0.003288 0.997543 0.239631 B\n0.003288 0.502457 0.739631 B\n0.996712 0.497543 0.239631 B\n0.403134 0.253869 0.158582 B\n0.498293 0.500315 0.739070 B\n0.903899 0.747845 0.659594 B\n0.249263 0.406787 0.312092 B\n0.501707 0.000315 0.739070 B\n0.996712 0.002457 0.739631 B\n0.749305 0.295896 0.010965 Cl\n0.749305 0.204104 0.510965 Cl\n0.250695 0.704104 0.510965 Cl\n0.250695 0.795896 0.010965 Cl\n0.749620 0.768260 0.228578 O\n0.059498 0.412401 0.644771 O\n0.940502 0.912401 0.644771 O\n0.162039 0.966259 0.759782 O\n0.331089 0.541434 0.763762 O\n0.591384 0.952088 0.334541 O\n0.520444 0.166309 0.218985 O\n0.363248 0.177450 0.055382 O\n0.479556 0.666309 0.218985 O\n0.329649 0.382226 0.924621 O\n0.408616 0.452088 0.334541 O\n0.749620 0.731740 0.728578 O\n0.837961 0.033741 0.259782 O\n0.668911 0.458566 0.263762 O\n0.837961 0.466259 0.759782 O\n0.910655 0.536590 0.343974 O\n0.250380 0.231740 0.728578 O\n0.027175 0.830841 0.219109 O\n0.172776 0.359002 0.413672 O\n0.250380 0.268260 0.228578 O\n0.542844 0.913038 0.140115 O\n0.636752 0.822550 0.555382 O\n0.123861 0.172175 0.554102 O\n0.636752 0.677450 0.055382 O\n0.827224 0.640998 0.913672 O\n0.479556 0.833691 0.718985 O\n0.972825 0.169159 0.719109 O\n0.331089 0.958566 0.263762 O\n0.876139 0.827825 0.054102 O\n0.972825 0.330841 0.219109 O\n0.542844 0.586962 0.640115 O\n0.670351 0.882226 0.924621 O\n0.408616 0.047912 0.834541 O\n0.910655 0.963410 0.843974 O\n0.089345 0.463410 0.843974 O\n0.876139 0.672175 0.554102 O\n0.123861 0.327825 0.054102 O\n0.457156 0.086962 0.640115 O\n0.363248 0.322550 0.555382 O\n0.940502 0.587599 0.144771 O\n0.172776 0.140998 0.913672 O\n0.520444 0.333691 0.718985 O\n0.329649 0.117774 0.424621 O\n0.059498 0.087599 0.144771 O\n0.162039 0.533741 0.259782 O\n0.827224 0.859002 0.413672 O\n0.668911 0.041434 0.763762 O\n0.027175 0.669159 0.719109 O\n0.457156 0.413038 0.140115 O\n0.089345 0.036590 0.343974 O\n0.670351 0.617774 0.424621 O\n0.591384 0.547912 0.834541 O\n",
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