{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.163221 0.200406 ] [ 0.75 0.836779 0.799594 ] [ 0.75 0.663221 0.299594 ] [ 0.25 0.336779 0.700406 ] [ 0.25 0.49671 0.088734 ] [ 0.75 0.50329 0.911266 ] [ 0.75 0.99671 0.411266 ] [ 0.25 0.00329 0.588734 ] [ 0.25 0.375639 0.368248 ] [ 0.75 0.624361 0.631752 ] [ 0.75 0.875639 0.131752 ] [ 0.25 0.124361 0.868248 ] [ 0.25 0.709145 0.470026 ] [ 0.75 0.290855 0.529974 ] [ 0.75 0.209145 0.029974 ] [ 0.25 0.790855 0.970026 ] [ 0.25 0.424907 0.577915 ] [ 0.75 0.575093 0.422085 ] [ 0.75 0.924907 0.922085 ] [ 0.25 0.075093 0.077915 ] [ 0.25 0.369107 0.980467 ] [ 0.75 0.630893 0.019533 ] [ 0.75 0.869107 0.519533 ] [ 0.25 0.130893 0.480467 ] [ 0.25 0.746748 0.67172 ] [ 0.75 0.253252 0.32828 ] [ 0.75 0.246748 0.82828 ] [ 0.25 0.753252 0.17172 ] [ 0.25 0.824461 0.370599 ] [ 0.75 0.175539 0.629401 ] [ 0.75 0.324461 0.129401 ] [ 0.25 0.675539 0.870599 ] [ 0.25 0.503349 0.272876 ] [ 0.75 0.496651 0.727124 ] [ 0.75 0.003349 0.227124 ] [ 0.25 0.996651 0.772876 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "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" 3.9688765 "source-unit" "angstrom" } "b" { "source-value" 11.52423801 "source-unit" "angstrom" } "c" { "source-value" 20.60156382 "source-unit" "angstrom" } }