{ "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" [ [ 0.57352 0.25 0.217933 ] [ 0.42648 0.75 0.782067 ] [ 0.036355 0.75 0.280007 ] [ 0.963645 0.25 0.719993 ] [ 0.592871 0.75 0.098577 ] [ 0.087752 0.25 0.402043 ] [ 0.912248 0.75 0.597957 ] [ 0.407129 0.25 0.901423 ] [ 0.35778 0.25 0.047811 ] [ 0.28927 0.75 0.123724 ] [ 0.742248 0.941514 0.173177 ] [ 0.742248 0.558486 0.173177 ] [ 0.221491 0.048499 0.331872 ] [ 0.221491 0.451501 0.331872 ] [ 0.788468 0.25 0.387642 ] [ 0.82479 0.75 0.449954 ] [ 0.17521 0.25 0.550046 ] [ 0.211532 0.75 0.612358 ] [ 0.778509 0.951501 0.668128 ] [ 0.778509 0.548499 0.668128 ] [ 0.257752 0.441514 0.826823 ] [ 0.257752 0.058486 0.826823 ] [ 0.71073 0.25 0.876276 ] [ 0.64222 0.75 0.952189 ] ] } "species" { "source-value" [ "Cr" "Cr" "Sn" "Sn" "P" "P" "P" "P" "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" 5.02839897 "source-unit" "angstrom" } "b" { "source-value" 6.16097519 "source-unit" "angstrom" } "c" { "source-value" 10.13305968 "source-unit" "angstrom" } "beta" { "source-value" 90.73784139 "source-unit" "degree" } }