{ "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" [ [ 0.204343 0.746249 0.524125 ] [ 0.795657 0.246249 0.975875 ] [ 0.795657 0.253751 0.475875 ] [ 0.204343 0.753751 0.024125 ] [ 0.257394 0.829403 0.782191 ] [ 0.742606 0.329403 0.717809 ] [ 0.742606 0.170597 0.217809 ] [ 0.257394 0.670597 0.282191 ] [ 0.744972 0.764544 0.5949 ] [ 0.255028 0.264544 0.9051 ] [ 0.255028 0.235456 0.4051 ] [ 0.744972 0.735456 0.0949 ] [ 0.990551 0.507478 0.621098 ] [ 0.009449 0.007478 0.878902 ] [ 0.009449 0.492522 0.378902 ] [ 0.990551 0.992522 0.121098 ] [ 0.006362 0.515851 0.871837 ] [ 0.993638 0.015851 0.628163 ] [ 0.993638 0.484149 0.128163 ] [ 0.006362 0.984149 0.371837 ] [ 0.527673 0.684143 0.687058 ] [ 0.472327 0.184143 0.812942 ] [ 0.472327 0.315857 0.312942 ] [ 0.527673 0.815857 0.187058 ] [ 0.536089 0.717157 0.944429 ] [ 0.463911 0.217157 0.555571 ] [ 0.463911 0.282843 0.055571 ] [ 0.536089 0.782843 0.444429 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "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" 6.77693381 "source-unit" "angstrom" } "b" { "source-value" 7.13101658 "source-unit" "angstrom" } "c" { "source-value" 15.58577198 "source-unit" "angstrom" } "beta" { "source-value" 106.40199365 "source-unit" "degree" } }