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{
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{
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{
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{
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{
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{
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{
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},
{
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"chemical_system": "B-Ca-Ni",
"density": 6.9496025684116685,
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"volume": 193.3658511254068,
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"formula_full": "Ca1 Ni12 B6",
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{
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"created_at": "2022-09-04T14:44:25.584822Z",
"structure_string": "Cu4 H20 N8 O34\n1.0\n0.000000 5.036131 0.000000\n-8.353374 2.518065 -7.526255\n-8.424750 2.518065 8.697804\nCu H N O\n4 20 8 34\ndirect\n0.885717 0.738689 0.510872 Cu\n0.864722 0.238689 0.010872 Cu\n0.114283 0.261311 0.489128 Cu\n0.135278 0.761311 0.989128 Cu\n0.851999 0.890304 0.649633 H\n0.608064 0.390304 0.149633 H\n0.148001 0.109696 0.350367 H\n0.391936 0.609696 0.850367 H\n0.547377 0.865620 0.663093 H\n0.923910 0.365620 0.163093 H\n0.452623 0.134380 0.336907 H\n0.076090 0.634380 0.836907 H\n0.080380 0.564321 0.384806 H\n0.970493 0.064321 0.884806 H\n0.919620 0.435679 0.615194 H\n0.029507 0.935679 0.115194 H\n0.201560 0.677625 0.329564 H\n0.791252 0.177625 0.829564 H\n0.798440 0.322375 0.670436 H\n0.208748 0.822375 0.170436 H\n0.492258 0.200170 0.705625 H\n0.601947 0.700170 0.205625 H\n0.507742 0.799830 0.294375 H\n0.398053 0.299830 0.794375 H\n0.804666 0.947050 0.389082 N\n0.859202 0.447050 0.889082 N\n0.195334 0.052950 0.610918 N\n0.140798 0.552950 0.110918 N\n0.677835 0.889893 0.913569 N\n0.518704 0.389893 0.413569 N\n0.322165 0.110107 0.086431 N\n0.481296 0.610107 0.586431 N\n0.841007 0.044121 0.340688 O\n0.774184 0.544121 0.840688 O\n0.158993 0.955879 0.659312 O\n0.225816 0.455879 0.159312 O\n0.004910 0.882613 0.432749 O\n0.679728 0.382613 0.932749 O\n0.995090 0.117387 0.567251 O\n0.320272 0.617387 0.067251 O\n0.583389 0.911128 0.397269 O\n0.108214 0.411128 0.897269 O\n0.416611 0.088872 0.602731 O\n0.891786 0.588872 0.102731 O\n0.524429 0.973427 0.873227 O\n0.628917 0.473427 0.373227 O\n0.475571 0.026573 0.126773 O\n0.371083 0.526573 0.626773 O\n0.611763 0.793347 0.951025 O\n0.643865 0.293347 0.451025 O\n0.388237 0.206653 0.048975 O\n0.356135 0.706653 0.548975 O\n0.929735 0.902466 0.917707 O\n0.250092 0.402466 0.417707 O\n0.070265 0.097534 0.082293 O\n0.749908 0.597534 0.582293 O\n0.746207 0.827102 0.650415 O\n0.776276 0.327102 0.150415 O\n0.253793 0.172898 0.349585 O\n0.223724 0.672898 0.849585 O\n0.030301 0.651650 0.371695 O\n0.946353 0.151650 0.871695 O\n0.969699 0.348350 0.628305 O\n0.053647 0.848350 0.128305 O\n0.561443 0.250000 0.750000 O\n0.438557 0.750000 0.250000 O\n",
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]
}