{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.056053 0 0 ] [ 0.056053 0 0.5 ] [ 0.556053 0.5 0 ] [ 0.556053 0.5 0.5 ] [ 0.127945 0.628738 0.25 ] [ 0.127945 0.371262 0.75 ] [ 0.627945 0.128738 0.25 ] [ 0.627945 0.871262 0.75 ] [ 0.003771 0.671426 0.106915 ] [ 0.003771 0.671426 0.393085 ] [ 0.913991 0.033767 0.25 ] [ 0.003771 0.328574 0.606915 ] [ 0.003771 0.328574 0.893085 ] [ 0.913991 0.966233 0.75 ] [ 0.503771 0.171426 0.106915 ] [ 0.503771 0.171426 0.393085 ] [ 0.413991 0.533767 0.25 ] [ 0.503771 0.828574 0.606915 ] [ 0.503771 0.828574 0.893085 ] [ 0.413991 0.466233 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "B" "B" "B" "B" "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" 4.21243068 "source-unit" "angstrom" } "b" { "source-value" 6.92413779 "source-unit" "angstrom" } "c" { "source-value" 8.8110235 "source-unit" "angstrom" } }