{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.875374 0.454131 0.58374 ] [ 0.124626 0.545869 0.41626 ] [ 0.780358 0.019785 0.44217 ] [ 0.219642 0.980215 0.55783 ] [ 0.395375 0.329301 0.879769 ] [ 0.604625 0.670699 0.120231 ] [ 0.2972 0.057126 0.942222 ] [ 0.7028 0.942874 0.057778 ] [ 0.550849 0.263753 0.360604 ] [ 0.449151 0.736247 0.639396 ] [ 0.982465 0.39931 0.053573 ] [ 0.017535 0.60069 0.946427 ] [ 0.043557 0.21422 0.283511 ] [ 0.956443 0.78578 0.716489 ] [ 0.169037 0.206146 0.45954 ] [ 0.830963 0.793854 0.54046 ] [ 0.247859 0.298376 0.187105 ] [ 0.752141 0.701624 0.812895 ] [ 0.262582 0.02004 0.308213 ] [ 0.737418 0.97996 0.691787 ] [ 0.593 0.508431 0.778225 ] [ 0.407 0.491569 0.221775 ] [ 0.353925 0.363387 0.62543 ] [ 0.646075 0.636613 0.37457 ] [ 0.907789 0.169846 0.763532 ] [ 0.092211 0.830154 0.236468 ] [ 0.833993 0.089509 0.8899 ] [ 0.166007 0.910491 0.1101 ] [ 0.089587 0.256795 0.66128 ] [ 0.910412 0.743205 0.33872 ] [ 0.784003 0.341209 0.764575 ] [ 0.215997 0.658791 0.235425 ] [ 0.91328 0.195466 0.102396 ] [ 0.08672 0.804534 0.897604 ] [ 0.597328 0.323298 0.143933 ] [ 0.402672 0.676702 0.856067 ] [ 0.94681 0.160001 0.866892 ] [ 0.05319 0.839999 0.133108 ] [ 0.275468 0.328278 0.695794 ] [ 0.724532 0.671722 0.304206 ] [ 0.822729 0.058957 0.670152 ] [ 0.177271 0.941043 0.329848 ] [ 0.509227 0.441353 0.658573 ] [ 0.490773 0.558647 0.341427 ] [ 0.198105 0.283263 0.285034 ] [ 0.801895 0.716737 0.714966 ] [ 0.83726 0.095583 0.99383 ] [ 0.16274 0.904417 0.00617 ] [ 0.07901 0.177816 0.539123 ] [ 0.92099 0.822184 0.460877 ] [ 0.086493 0.198953 0.72774 ] [ 0.913507 0.801047 0.27226 ] [ 0.759785 0.580922 0.780725 ] [ 0.240215 0.419078 0.219275 ] [ 0.112828 0.22862 0.090067 ] [ 0.887172 0.77138 0.909933 ] [ 0.273344 0.318813 0.516611 ] [ 0.726656 0.681187 0.483389 ] [ 0.452011 0.259025 0.157656 ] [ 0.547989 0.740975 0.842344 ] [ 0.92383 0.338014 0.692901 ] [ 0.07617 0.661986 0.307099 ] [ 0.761308 0.257181 0.792619 ] [ 0.238692 0.742819 0.207381 ] [ 0.660095 0.429065 0.815886 ] [ 0.339905 0.570935 0.184114 ] [ 0.906047 0.166343 0.193467 ] [ 0.093953 0.833657 0.806533 ] [ 0.787243 0.291777 0.126072 ] [ 0.212757 0.708223 0.873928 ] [ 0.28532 0.996914 0.19675 ] [ 0.71468 0.003086 0.80325 ] [ 0.559433 0.424313 0.148307 ] [ 0.440567 0.575687 0.851693 ] [ 0.326783 0.123903 0.395261 ] [ 0.673217 0.876097 0.604739 ] [ 0.01862 0.195164 0.373062 ] [ 0.98138 0.804836 0.626938 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" 6.85497962048 "source-unit" "angstrom" } "b" { "source-value" 13.6100664705 "source-unit" "angstrom" } "c" { "source-value" 13.6091979834 "source-unit" "angstrom" } "alpha" { "source-value" 119.282231452 "source-unit" "degree" } "beta" { "source-value" 91.701752969 "source-unit" "degree" } "gamma" { "source-value" 91.6579229993 "source-unit" "degree" } }