{ "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" [ [ 0.25 0.997792 0.693642 ] [ 0.75 0.002208 0.306358 ] [ 0.75 0.497792 0.806358 ] [ 0.25 0.502208 0.193642 ] [ 0.25 0.312921 0.511685 ] [ 0.75 0.687079 0.488315 ] [ 0.75 0.812921 0.988315 ] [ 0.25 0.187079 0.011685 ] [ 0.75 0.055682 0.880053 ] [ 0.25 0.944318 0.119947 ] [ 0.25 0.555682 0.619947 ] [ 0.75 0.444318 0.380053 ] [ 0.25 0.874672 0.455212 ] [ 0.75 0.125328 0.544788 ] [ 0.75 0.374672 0.044788 ] [ 0.25 0.625328 0.955212 ] [ 0.25 0.302125 0.772211 ] [ 0.75 0.697875 0.227789 ] [ 0.75 0.802125 0.727789 ] [ 0.25 0.197875 0.272211 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "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" 4.12959846 "source-unit" "angstrom" } "b" { "source-value" 11.13257402 "source-unit" "angstrom" } "c" { "source-value" 11.40329074 "source-unit" "angstrom" } }