{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.469388 0.25 0.806977 ] [ 0.46136 0.75 0.680035 ] [ 0.02351 0.25 0.466514 ] [ 0.955692 0.25 0.968419 ] [ 0.044308 0.75 0.031581 ] [ 0.530612 0.75 0.193023 ] [ 0.97649 0.75 0.533486 ] [ 0.53864 0.25 0.319965 ] [ 0.478455 0.138069 0.075225 ] [ 0.521545 0.638069 0.924775 ] [ 0.9837 0.88541 0.789999 ] [ 0.728764 0.060924 0.877653 ] [ 0.271236 0.560924 0.122347 ] [ 0.9837 0.61459 0.789999 ] [ 0.669157 0.553232 0.63417 ] [ 0.0163 0.38541 0.210001 ] [ 0.0163 0.11459 0.210001 ] [ 0.669157 0.946768 0.63417 ] [ 0.521545 0.861931 0.924775 ] [ 0.728764 0.439076 0.877653 ] [ 0.830993 0.559014 0.082148 ] [ 0.236389 0.549838 0.587159 ] [ 0.993733 0.637745 0.286416 ] [ 0.478455 0.361931 0.075225 ] [ 0.006267 0.362255 0.713584 ] [ 0.169007 0.059014 0.917852 ] [ 0.486375 0.363836 0.565429 ] [ 0.993733 0.862255 0.286416 ] [ 0.763611 0.450162 0.412841 ] [ 0.330843 0.446768 0.36583 ] [ 0.513625 0.636164 0.434571 ] [ 0.830993 0.940986 0.082148 ] [ 0.236389 0.950162 0.587159 ] [ 0.330843 0.053232 0.36583 ] [ 0.763611 0.049838 0.412841 ] [ 0.486375 0.136164 0.565429 ] [ 0.513625 0.863836 0.434571 ] [ 0.271236 0.939076 0.122347 ] [ 0.169007 0.440986 0.917852 ] [ 0.006267 0.137745 0.713584 ] [ 0.08063 0.622128 0.661164 ] [ 0.573672 0.068284 0.3204 ] [ 0.259363 0.37624 0.255766 ] [ 0.08063 0.877872 0.661164 ] [ 0.740637 0.87624 0.744234 ] [ 0.71147 0.359325 0.49506 ] [ 0.333214 0.144819 0.451774 ] [ 0.426328 0.931716 0.6796 ] [ 0.237253 0.364315 0.025637 ] [ 0.333214 0.355181 0.451774 ] [ 0.837879 0.853494 0.175001 ] [ 0.237253 0.135685 0.025637 ] [ 0.413821 0.640917 0.051949 ] [ 0.521115 0.75 0.409752 ] [ 0.71147 0.140675 0.49506 ] [ 0.986852 0.000355 0.803283 ] [ 0.259363 0.12376 0.255766 ] [ 0.573672 0.431716 0.3204 ] [ 0.981642 0.75 0.318139 ] [ 0.478885 0.25 0.590248 ] [ 0.28853 0.859325 0.50494 ] [ 0.5 0 0.5 ] [ 0.666786 0.855181 0.548226 ] [ 0.586179 0.359083 0.948051 ] [ 0.785046 0.144613 0.786372 ] [ 0.927764 0.079738 0.965683 ] [ 0.072236 0.920262 0.034317 ] [ 0.91937 0.122128 0.338836 ] [ 0.013148 0.500355 0.196717 ] [ 0.498845 0.75 0.894986 ] [ 0.762747 0.635685 0.974363 ] [ 0.28853 0.640675 0.50494 ] [ 0.986852 0.499645 0.803283 ] [ 0.501155 0.25 0.105014 ] [ 0.162121 0.353494 0.824999 ] [ 0.666786 0.644819 0.548226 ] [ 0.5 0.5 0.5 ] [ 0.162121 0.146506 0.824999 ] [ 0.837879 0.646506 0.175001 ] [ 0.072236 0.579738 0.034317 ] [ 0.018358 0.25 0.681861 ] [ 0.013148 0.999645 0.196717 ] [ 0.91937 0.377872 0.338836 ] [ 0.413821 0.859083 0.051949 ] [ 0.740637 0.62376 0.744234 ] [ 0.426328 0.568284 0.6796 ] [ 0.762747 0.864315 0.974363 ] [ 0.214954 0.644613 0.213628 ] [ 0.214954 0.855387 0.213628 ] [ 0.927764 0.420262 0.965683 ] [ 0.785046 0.355387 0.786372 ] [ 0.586179 0.140917 0.948051 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.69723902395 "source-unit" "angstrom" } "b" { "source-value" 17.34654836 "source-unit" "angstrom" } "c" { "source-value" 14.3617570279 "source-unit" "angstrom" } "beta" { "source-value" 90.1490208889 "source-unit" "degree" } }