{ "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" [ [ 0.75 0.598057 0.306895 ] [ 0.25 0.401943 0.693105 ] [ 0.25 0.098057 0.193105 ] [ 0.75 0.901943 0.806895 ] [ 0.25 0.947979 0.539319 ] [ 0.25 0.552021 0.039319 ] [ 0.75 0.052021 0.460681 ] [ 0.75 0.447979 0.960681 ] [ 0.75 0.926497 0.105986 ] [ 0.25 0.426497 0.394014 ] [ 0.25 0.073503 0.894014 ] [ 0.75 0.573503 0.605986 ] [ 0.993594 0.406002 0.093495 ] [ 0.493594 0.906002 0.406505 ] [ 0.506406 0.093998 0.593495 ] [ 0.006406 0.906002 0.406505 ] [ 0.75 0.282337 0.859277 ] [ 0.25 0.717663 0.140723 ] [ 0.493594 0.593998 0.906505 ] [ 0.506406 0.406002 0.093495 ] [ 0.993594 0.093998 0.593495 ] [ 0.75 0.217663 0.359277 ] [ 0.25 0.782337 0.640723 ] [ 0.006406 0.593998 0.906505 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "V" "V" "V" "V" "Cl" "Cl" "Cl" "Cl" "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" 5.34937987 "source-unit" "angstrom" } "b" { "source-value" 7.54383865 "source-unit" "angstrom" } "c" { "source-value" 10.65338031 "source-unit" "angstrom" } }