{ "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 0.198883 0.77706 ] [ 0.25 0.801117 0.22294 ] [ 0.75 0.301117 0.27706 ] [ 0.25 0.698883 0.72294 ] [ 0.25 0.436995 0.874973 ] [ 0.75 0.563005 0.125027 ] [ 0.25 0.063005 0.374973 ] [ 0.75 0.936995 0.625027 ] [ 0.25 0.367714 0.547346 ] [ 0.75 0.632286 0.452654 ] [ 0.25 0.132286 0.047346 ] [ 0.75 0.867714 0.952654 ] [ 0.25 0.680851 0.989061 ] [ 0.75 0.319149 0.010939 ] [ 0.25 0.819149 0.489061 ] [ 0.75 0.180851 0.510939 ] [ 0.25 0.002808 0.813887 ] [ 0.75 0.997192 0.186113 ] [ 0.25 0.497192 0.313887 ] [ 0.75 0.502808 0.686113 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72389561 "source-unit" "angstrom" } "b" { "source-value" 10.0684527 "source-unit" "angstrom" } "c" { "source-value" 10.1633239 "source-unit" "angstrom" } }