{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.991696 0.040108 0.749654 ] [ 0.508304 0.540108 0.750346 ] [ 0.491696 0.459892 0.249654 ] [ 0.008304 0.959892 0.250346 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.78919 0.80436 0.545919 ] [ 0.71081 0.30436 0.954081 ] [ 0.21081 0.19564 0.454081 ] [ 0.28919 0.69564 0.045919 ] [ 0.691354 0.287572 0.548295 ] [ 0.808646 0.787572 0.951705 ] [ 0.308646 0.712428 0.451705 ] [ 0.191354 0.212428 0.048295 ] [ 0.09124 0.472821 0.75904 ] [ 0.40876 0.972821 0.74096 ] [ 0.90876 0.527179 0.24096 ] [ 0.59124 0.027179 0.25904 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "Te" "Te" "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" 5.4946788582 "source-unit" "angstrom" } "b" { "source-value" 5.56400893 "source-unit" "angstrom" } "c" { "source-value" 7.82454429131 "source-unit" "angstrom" } "beta" { "source-value" 90.0082639141 "source-unit" "degree" } }