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{
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{
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{
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{
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"structure_string": "Er12 Al86 Mo8\n1.0\n5.521315 -9.563198 0.000000\n5.521315 9.563198 0.000000\n0.000000 0.000000 17.615543\nEr Al Mo\n12 86 8\ndirect\n0.468982 0.468982 0.904724 Er\n0.531018 0.000000 0.904724 Er\n0.000000 0.531018 0.904724 Er\n0.531018 0.531018 0.095276 Er\n0.468982 0.000000 0.095276 Er\n0.000000 0.468982 0.095276 Er\n0.531018 0.531018 0.404724 Er\n0.468982 0.000000 0.404724 Er\n0.000000 0.468982 0.404724 Er\n0.468982 0.468982 0.595276 Er\n0.531018 0.000000 0.595276 Er\n0.000000 0.531018 0.595276 Er\n0.841806 0.236591 0.836702 Al\n0.763409 0.605215 0.836702 Al\n0.394785 0.158194 0.836702 Al\n0.236591 0.841806 0.836702 Al\n0.605215 0.763409 0.836702 Al\n0.158194 0.394785 0.836702 Al\n0.158194 0.763409 0.163298 Al\n0.236591 0.394785 0.163298 Al\n0.605215 0.841806 0.163298 Al\n0.763409 0.158194 0.163298 Al\n0.394785 0.236591 0.163298 Al\n0.841806 0.605215 0.163298 Al\n0.158194 0.763409 0.336702 Al\n0.236591 0.394785 0.336702 Al\n0.605215 0.841806 0.336702 Al\n0.763409 0.158194 0.336702 Al\n0.394785 0.236591 0.336702 Al\n0.841806 0.605215 0.336702 Al\n0.841806 0.236591 0.663298 Al\n0.763409 0.605215 0.663298 Al\n0.394785 0.158194 0.663298 Al\n0.236591 0.841806 0.663298 Al\n0.605215 0.763409 0.663298 Al\n0.158194 0.394785 0.663298 Al\n0.840523 0.840523 0.385494 Al\n0.159477 0.000000 0.385494 Al\n0.000000 0.159477 0.385494 Al\n0.159477 0.159477 0.614506 Al\n0.840523 0.000000 0.614506 Al\n0.000000 0.840523 0.614506 Al\n0.159477 0.159477 0.885494 Al\n0.840523 0.000000 0.885494 Al\n0.000000 0.840523 0.885494 Al\n0.840523 0.840523 0.114506 Al\n0.159477 0.000000 0.114506 Al\n0.000000 0.159477 0.114506 Al\n0.745466 0.745466 0.969680 Al\n0.254534 0.000000 0.969680 Al\n0.000000 0.254534 0.969680 Al\n0.254534 0.254534 0.030320 Al\n0.745466 0.000000 0.030320 Al\n0.000000 0.745466 0.030320 Al\n0.254534 0.254534 0.469680 Al\n0.745466 0.000000 0.469680 Al\n0.000000 0.745466 0.469680 Al\n0.745466 0.745466 0.530320 Al\n0.254534 0.000000 0.530320 Al\n0.000000 0.254534 0.530320 Al\n0.852901 0.448929 0.750000 Al\n0.551071 0.403972 0.750000 Al\n0.596028 0.147099 0.750000 Al\n0.448929 0.852901 0.750000 Al\n0.403972 0.551071 0.750000 Al\n0.147099 0.596028 0.750000 Al\n0.147099 0.551071 0.250000 Al\n0.448929 0.596028 0.250000 Al\n0.403972 0.852901 0.250000 Al\n0.551071 0.147099 0.250000 Al\n0.596028 0.448929 0.250000 Al\n0.852901 0.403972 0.250000 Al\n0.752948 0.247052 0.000000 Al\n0.752948 0.505895 0.000000 Al\n0.494105 0.247052 0.000000 Al\n0.247052 0.752948 0.000000 Al\n0.505895 0.752948 0.000000 Al\n0.247052 0.494105 0.000000 Al\n0.247052 0.752948 0.500000 Al\n0.247052 0.494105 0.500000 Al\n0.505895 0.752948 0.500000 Al\n0.752948 0.247052 0.500000 Al\n0.494105 0.247052 0.500000 Al\n0.752948 0.505895 0.500000 Al\n0.666667 0.333333 0.873915 Al\n0.333333 0.666667 0.873915 Al\n0.333333 0.666667 0.126085 Al\n0.666667 0.333333 0.126085 Al\n0.333333 0.666667 0.373915 Al\n0.666667 0.333333 0.373915 Al\n0.666667 0.333333 0.626085 Al\n0.333333 0.666667 0.626085 Al\n0.852605 0.852605 0.750000 Al\n0.147395 0.000000 0.750000 Al\n0.000000 0.147395 0.750000 Al\n0.147395 0.147395 0.250000 Al\n0.852605 0.000000 0.250000 Al\n0.000000 0.852605 0.250000 Al\n0.270487 0.270487 0.750000 Mo\n0.729513 0.000000 0.750000 Mo\n0.000000 0.729513 0.750000 Mo\n0.729513 0.729513 0.250000 Mo\n0.270487 0.000000 0.250000 Mo\n0.000000 0.270487 0.250000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n",
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{
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{
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{
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"structure_string": "Li4 Ti2 Ge2 O10\n1.0\n6.659297 0.000000 0.000000\n0.000000 6.659297 0.000000\n0.000000 0.000000 4.552501\nLi Ti Ge O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.500000 0.104363 Ti\n0.500000 0.000000 0.895637 Ti\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.500000 0.713568 0.768500 O\n0.500000 0.286432 0.768500 O\n0.500000 0.000000 0.272607 O\n0.000000 0.500000 0.727393 O\n0.713568 0.500000 0.231500 O\n0.000000 0.786432 0.231500 O\n0.000000 0.213568 0.231500 O\n0.286432 0.500000 0.231500 O\n0.786432 0.000000 0.768500 O\n0.213568 0.000000 0.768500 O\n",
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