{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.759623 0.25 ] [ 0.5 0.240377 0.75 ] [ 0 0.259623 0.25 ] [ 0 0.740377 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.039428 0.25 ] [ 0.5 0.960572 0.75 ] [ 0 0.539428 0.25 ] [ 0 0.460572 0.75 ] [ 0.5 0.11825 0.438576 ] [ 0.5 0.88175 0.561424 ] [ 0.5 0.88175 0.938576 ] [ 0 0.947699 0.25 ] [ 0 0.052301 0.75 ] [ 0.5 0.11825 0.061424 ] [ 0 0.61825 0.438576 ] [ 0 0.38175 0.561424 ] [ 0 0.38175 0.938576 ] [ 0.5 0.447699 0.25 ] [ 0.5 0.552301 0.75 ] [ 0 0.61825 0.061424 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sm" "Sm" "Sm" "Sm" "Mn" "Mn" "Mn" "Mn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.29016787 "source-unit" "angstrom" } "b" { "source-value" 16.18744654 "source-unit" "angstrom" } "c" { "source-value" 11.31891192 "source-unit" "angstrom" } }