{ "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" [ [ 0.031213 0.198478 0.113377 ] [ 0.031213 0.801522 0.613377 ] [ 0.031213 0.801522 0.886623 ] [ 0.031213 0.198478 0.386623 ] [ 0.531213 0.698478 0.113377 ] [ 0.531213 0.301522 0.613377 ] [ 0.531213 0.301522 0.886623 ] [ 0.531213 0.698478 0.386623 ] [ 0.053 0.863436 0.25 ] [ 0.053 0.136564 0.75 ] [ 0.553 0.363436 0.25 ] [ 0.553 0.636564 0.75 ] [ 0.455459 0 0 ] [ 0.455459 0 0.5 ] [ 0.955459 0.5 0 ] [ 0.955459 0.5 0.5 ] [ 0.926825 0.797856 0.156459 ] [ 0.371252 0.176008 0.75 ] [ 0.029211 0.03809 0.25 ] [ 0.926825 0.202144 0.843541 ] [ 0.926825 0.797856 0.343541 ] [ 0.926825 0.202144 0.656459 ] [ 0.371252 0.823992 0.25 ] [ 0.029211 0.96191 0.75 ] [ 0.426825 0.297856 0.156459 ] [ 0.871252 0.676008 0.75 ] [ 0.529211 0.53809 0.25 ] [ 0.426825 0.702144 0.843541 ] [ 0.426825 0.297856 0.343541 ] [ 0.426825 0.702144 0.656459 ] [ 0.871252 0.323992 0.25 ] [ 0.529211 0.46191 0.75 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" "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" 4.82730381 "source-unit" "angstrom" } "b" { "source-value" 8.93504996 "source-unit" "angstrom" } "c" { "source-value" 13.79945651 "source-unit" "angstrom" } }