{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0.669594 ] [ 0.5 0.5 0.169594 ] [ 0.5 0.5 0.830406 ] [ 0 0 0.330406 ] [ 0.16233 0.83767 0 ] [ 0.66233 0.66233 0.5 ] [ 0.33767 0.33767 0.5 ] [ 0.83767 0.16233 0 ] [ 0.802582 0.802582 0.851743 ] [ 0.197418 0.197418 0.851743 ] [ 0.802582 0.802582 0.148257 ] [ 0.302582 0.697418 0.351743 ] [ 0.697418 0.302582 0.351743 ] [ 0.697418 0.302582 0.648257 ] [ 0.302582 0.697418 0.648257 ] [ 0.197418 0.197418 0.148257 ] [ 0.803996 0.588609 0 ] [ 0.196004 0.411391 0 ] [ 0.588609 0.803996 0 ] [ 0.088609 0.696004 0.5 ] [ 0.411391 0.196004 0 ] [ 0.303996 0.911391 0.5 ] [ 0.696004 0.088609 0.5 ] [ 0.911391 0.303996 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.67807838 "source-unit" "angstrom" } "c" { "source-value" 12.2555427 "source-unit" "angstrom" } }