{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.968128 0.31704 ] [ 0.25 0.468128 0.18296 ] [ 0.75 0.031872 0.68296 ] [ 0.75 0.531872 0.81704 ] [ 0.75 0.322186 0.44736 ] [ 0.75 0.822186 0.05264 ] [ 0.25 0.677814 0.55264 ] [ 0.25 0.177814 0.94736 ] [ 0.25 0.514398 0.393042 ] [ 0.25 0.014398 0.106958 ] [ 0.75 0.485602 0.606958 ] [ 0.75 0.985602 0.893042 ] [ 0.25 0.14361 0.51008 ] [ 0.25 0.64361 0.98992 ] [ 0.75 0.85639 0.48992 ] [ 0.75 0.35639 0.01008 ] [ 0.75 0.214956 0.278324 ] [ 0.75 0.714956 0.221676 ] [ 0.25 0.785044 0.721676 ] [ 0.25 0.285044 0.778324 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "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" 3.84748815 "source-unit" "angstrom" } "b" { "source-value" 8.53433803 "source-unit" "angstrom" } "c" { "source-value" 13.66080976 "source-unit" "angstrom" } }