{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.479708 0.25 0.628112 ] [ 0.979708 0.25 0.871888 ] [ 0.520292 0.75 0.371888 ] [ 0.020292 0.75 0.128112 ] [ 0.466952 0.75 0.881495 ] [ 0.966952 0.75 0.618505 ] [ 0.533048 0.25 0.118505 ] [ 0.033048 0.25 0.381495 ] [ 0.51571 0.51115 0.815131 ] [ 0.01571 0.98885 0.684869 ] [ 0.48429 0.01115 0.184869 ] [ 0.98429 0.48885 0.315131 ] [ 0.48429 0.48885 0.184869 ] [ 0.98429 0.01115 0.315131 ] [ 0.51571 0.98885 0.815131 ] [ 0.01571 0.51115 0.684869 ] [ 0.817089 0.25 0.080533 ] [ 0.317089 0.25 0.419467 ] [ 0.182911 0.75 0.919467 ] [ 0.682911 0.75 0.580533 ] [ 0.846902 0.25 0.476015 ] [ 0.346902 0.25 0.023985 ] [ 0.153098 0.75 0.523985 ] [ 0.653098 0.75 0.976015 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "I" "I" "I" "I" "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" 6.02692363 "source-unit" "angstrom" } "b" { "source-value" 6.17717083 "source-unit" "angstrom" } "c" { "source-value" 14.8352088 "source-unit" "angstrom" } }