{ "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 0.751246 0.25 ] [ 0 0.248754 0.75 ] [ 0.5 0.251246 0.25 ] [ 0.5 0.748754 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.969625 0.25 ] [ 0.5 0.030375 0.75 ] [ 0 0.469625 0.25 ] [ 0 0.530375 0.75 ] [ 0.5 0.135456 0.550088 ] [ 0.5 0.864544 0.449912 ] [ 0.5 0.864544 0.050088 ] [ 0 0.920411 0.75 ] [ 0 0.079589 0.25 ] [ 0.5 0.135456 0.949912 ] [ 0 0.635456 0.550088 ] [ 0 0.364544 0.449912 ] [ 0 0.364544 0.050088 ] [ 0.5 0.420411 0.75 ] [ 0.5 0.579589 0.25 ] [ 0 0.635456 0.949912 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Y" "Y" "Ag" "Ag" "Ag" "Ag" "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" 4.29685098 "source-unit" "angstrom" } "b" { "source-value" 14.34226004 "source-unit" "angstrom" } "c" { "source-value" 10.81311942 "source-unit" "angstrom" } }