{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.798865 0.879161 0.5 ] [ 0.120839 0.798865 0.5 ] [ 0.879161 0.201135 0.5 ] [ 0.201135 0.120839 0.5 ] [ 0 0 0 ] [ 0.298865 0.379161 0 ] [ 0.620839 0.298865 0 ] [ 0.379161 0.701135 0 ] [ 0.701135 0.620839 0 ] [ 0.5 0.5 0.5 ] [ 0.057254 0.285753 0 ] [ 0.714247 0.057254 0 ] [ 0.285753 0.942746 0 ] [ 0.942746 0.714247 0 ] [ 0.557254 0.785753 0.5 ] [ 0.214247 0.557254 0.5 ] [ 0.785753 0.442746 0.5 ] [ 0.442746 0.214247 0.5 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.69007553232 "source-unit" "angstrom" } "c" { "source-value" 3.30017196311 "source-unit" "angstrom" } }