{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.865928 0.391098 0.405023 ] [ 0.365928 0.608902 0.094977 ] [ 0.634072 0.891098 0.594977 ] [ 0.134072 0.108902 0.905023 ] [ 0.134072 0.608902 0.594977 ] [ 0.634072 0.391098 0.905023 ] [ 0.365928 0.108902 0.405023 ] [ 0.865928 0.891098 0.094977 ] [ 0.889211 0.962314 0.357067 ] [ 0.389211 0.037686 0.142933 ] [ 0.610789 0.462314 0.642933 ] [ 0.110789 0.537686 0.857067 ] [ 0.110789 0.037686 0.642933 ] [ 0.610789 0.962314 0.857067 ] [ 0.389211 0.537686 0.357067 ] [ 0.889211 0.462314 0.142933 ] [ 0.014913 0.656328 0.09358 ] [ 0.514913 0.343672 0.40642 ] [ 0.485087 0.156328 0.90642 ] [ 0.985087 0.843672 0.59358 ] [ 0.985087 0.343672 0.90642 ] [ 0.485087 0.656328 0.59358 ] [ 0.514913 0.843672 0.09358 ] [ 0.014913 0.156328 0.40642 ] [ 0.657811 0.472832 0.065381 ] [ 0.157811 0.527168 0.434619 ] [ 0.842189 0.972832 0.934619 ] [ 0.342189 0.027168 0.565381 ] [ 0.342189 0.527168 0.934619 ] [ 0.842189 0.472832 0.565381 ] [ 0.157811 0.027168 0.065381 ] [ 0.657811 0.972832 0.434619 ] [ 0.796821 0.034251 0.230993 ] [ 0.296821 0.965749 0.269007 ] [ 0.703179 0.534251 0.769007 ] [ 0.203179 0.465749 0.730993 ] [ 0.203179 0.965749 0.769007 ] [ 0.703179 0.034251 0.730993 ] [ 0.296821 0.465749 0.230993 ] [ 0.796821 0.534251 0.269007 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.35154401 "source-unit" "angstrom" } "b" { "source-value" 7.51649983 "source-unit" "angstrom" } "c" { "source-value" 12.0767882 "source-unit" "angstrom" } }