{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.894193 0.839548 ] [ 0.5 0.605807 0.339548 ] [ 0.5 0.394193 0.660452 ] [ 0.5 0.105807 0.160452 ] [ 0.732131 0 0.5 ] [ 0.732131 0.5 0 ] [ 0.267869 0.5 0 ] [ 0.267869 0 0.5 ] [ 0 0.696735 0.77792 ] [ 0 0.803265 0.27792 ] [ 0 0.303265 0.22208 ] [ 0 0.196735 0.72208 ] [ 0 0.713819 0.022827 ] [ 0.23476 0.547999 0.818055 ] [ 0 0.786181 0.522827 ] [ 0.5 0.208116 0.463097 ] [ 0.76524 0.047999 0.681945 ] [ 0.23476 0.952001 0.318055 ] [ 0.76524 0.547999 0.818055 ] [ 0 0.864688 0.910447 ] [ 0 0.364688 0.589553 ] [ 0 0.286181 0.977173 ] [ 0.76524 0.952001 0.318055 ] [ 0 0.135312 0.089553 ] [ 0.76524 0.452001 0.181945 ] [ 0.5 0.291884 0.963097 ] [ 0.23476 0.452001 0.181945 ] [ 0 0.213819 0.477173 ] [ 0.5 0.708116 0.036903 ] [ 0.23476 0.047999 0.681945 ] [ 0.5 0.791884 0.536903 ] [ 0 0.635312 0.410447 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "As" "As" "As" "As" "S" "S" "S" "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" 7.59662381 "source-unit" "angstrom" } "b" { "source-value" 8.33849035 "source-unit" "angstrom" } "c" { "source-value" 14.15302663 "source-unit" "angstrom" } }