{ "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" [ [ 0.75 0.7578 0.178148 ] [ 0.25 0.2422 0.821852 ] [ 0.75 0.2578 0.321852 ] [ 0.25 0.7422 0.678148 ] [ 0.25 0.074575 0.544172 ] [ 0.75 0.925425 0.455828 ] [ 0.75 0.425425 0.044172 ] [ 0.25 0.574575 0.955828 ] [ 0.75 0.943623 0.88717 ] [ 0.25 0.056377 0.11283 ] [ 0.75 0.443623 0.61283 ] [ 0.25 0.556377 0.38717 ] [ 0.25 0.83956 0.962291 ] [ 0.75 0.16044 0.037709 ] [ 0.75 0.66044 0.462291 ] [ 0.25 0.33956 0.537709 ] [ 0.75 0.523174 0.830254 ] [ 0.25 0.476826 0.169746 ] [ 0.75 0.023174 0.669746 ] [ 0.25 0.976826 0.330254 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.4697937 "source-unit" "angstrom" } "b" { "source-value" 10.13981281 "source-unit" "angstrom" } "c" { "source-value" 11.55934518 "source-unit" "angstrom" } }