{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.837998 0.160093 0.754205 ] [ 0.162002 0.839907 0.245795 ] [ 0.817924 0.183247 0.250727 ] [ 0.182076 0.816753 0.749273 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.409428 0.588983 0.249487 ] [ 0.590572 0.411017 0.750513 ] [ 0.758249 0.895239 0.086802 ] [ 0.241751 0.104761 0.913198 ] [ 0.106496 0.240345 0.412267 ] [ 0.893504 0.759655 0.587733 ] [ 0.398979 0.823232 0.62987 ] [ 0.601021 0.176768 0.37013 ] [ 0.175585 0.599265 0.869326 ] [ 0.824415 0.400735 0.130674 ] ] } "species" { "source-value" [ "Ca" "Ca" "Si" "Si" "Sn" "Sn" "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" 7.25869862189 "source-unit" "angstrom" } "b" { "source-value" 5.63789923958 "source-unit" "angstrom" } "c" { "source-value" 5.62448073389 "source-unit" "angstrom" } "alpha" { "source-value" 106.099566641 "source-unit" "degree" } "beta" { "source-value" 103.709076567 "source-unit" "degree" } "gamma" { "source-value" 103.908715012 "source-unit" "degree" } }