{ "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 0.715475 0.000148 ] [ 0.25 0.284525 0.999852 ] [ 0.75 0.215475 0.499852 ] [ 0.25 0.784525 0.500148 ] [ 0.75 0.981017 0.762818 ] [ 0.25 0.018983 0.237182 ] [ 0.75 0.481017 0.737182 ] [ 0.25 0.518983 0.262818 ] [ 0.25 0.733842 0.776643 ] [ 0.75 0.266158 0.223357 ] [ 0.25 0.233842 0.723357 ] [ 0.75 0.766158 0.276643 ] [ 0.75 0.602836 0.399211 ] [ 0.25 0.397164 0.600789 ] [ 0.75 0.102836 0.100789 ] [ 0.25 0.897164 0.899211 ] [ 0.25 0.552261 0.884135 ] [ 0.75 0.447739 0.115865 ] [ 0.25 0.052261 0.615865 ] [ 0.75 0.947739 0.384135 ] [ 0.75 0.737429 0.670147 ] [ 0.25 0.262571 0.329853 ] [ 0.75 0.237429 0.829853 ] [ 0.25 0.762571 0.170147 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Pr" "Pr" "Pr" "Pr" "Cu" "Cu" "Cu" "Cu" "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" 4.18116047 "source-unit" "angstrom" } "b" { "source-value" 11.10425299 "source-unit" "angstrom" } "c" { "source-value" 13.64281665 "source-unit" "angstrom" } }