{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.249106 0.499539 0.499037 ] [ 0.499493 0.016257 0.490546 ] [ 0.507057 0.497878 0.016232 ] [ 0.993224 0.49985 0.987025 ] [ 0.993028 0.985802 0.495316 ] [ 0.879482 0.959145 0.864415 ] [ 0.882706 0.638594 0.361686 ] [ 0.883868 0.363458 0.637808 ] [ 0.478238 0.36128 0.360848 ] [ 0.753913 0.635734 0.636541 ] [ 0.501756 0.001814 0.003254 ] [ 0.19258 0.72201 0.721218 ] [ 0.528381 0.276408 0.721373 ] [ 0.530404 0.722088 0.277519 ] [ 0.747006 0.278333 0.279297 ] [ 0.490278 0.855561 0.856884 ] [ 0.158896 0.493484 0.775326 ] [ 0.158684 0.774789 0.49311 ] [ 0.756988 0.221871 0.779148 ] [ 0.756102 0.779832 0.221494 ] [ 0.749538 0.499278 0.498854 ] [ 0.022319 0.778145 0.778438 ] [ 0.334396 0.225801 0.492499 ] [ 0.334663 0.493278 0.227083 ] [ 0.616463 0.506494 0.774328 ] [ 0.616657 0.774719 0.508538 ] [ 0.365296 0.854581 0.14482 ] [ 0.365051 0.144207 0.855 ] [ 0.780234 0.146046 0.146158 ] [ 0.892417 0.506512 0.227594 ] [ 0.891536 0.225021 0.50849 ] [ 0.464938 0.22019 0.220121 ] ] } "species" { "source-value" [ "K" "Rb" "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "Sn" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.07400823 "source-unit" "angstrom" } "b" { "source-value" 11.14730847 "source-unit" "angstrom" } "c" { "source-value" 11.16717077 "source-unit" "angstrom" } "alpha" { "source-value" 78.50034945 "source-unit" "degree" } "beta" { "source-value" 116.70118359 "source-unit" "degree" } "gamma" { "source-value" 116.5853971 "source-unit" "degree" } }