{ "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 0.240939 0.25 ] [ 0.5 0.759061 0.75 ] [ 0 0.740939 0.25 ] [ 0 0.259061 0.75 ] [ 0.5 0.843266 0.432632 ] [ 0.5 0.156734 0.567368 ] [ 0 0.902611 0.75 ] [ 0 0.097389 0.25 ] [ 0.5 0.843266 0.067368 ] [ 0.5 0.156734 0.932632 ] [ 0 0.343266 0.432632 ] [ 0 0.656734 0.567368 ] [ 0.5 0.402611 0.75 ] [ 0.5 0.597389 0.25 ] [ 0 0.343266 0.067368 ] [ 0 0.656734 0.932632 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.12568478 "source-unit" "angstrom" } "b" { "source-value" 14.3795584 "source-unit" "angstrom" } "c" { "source-value" 9.28026143 "source-unit" "angstrom" } }