{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1c" } "basis-atom-coordinates" { "source-value" [ [ 0.198201 0.406389 0.030883 ] [ 0.593611 0.198201 0.969117 ] [ 0.406389 0.801799 0.969117 ] [ 0.801799 0.593611 0.030883 ] [ 0.698201 0.093611 0.469117 ] [ 0.301799 0.906389 0.469117 ] [ 0.906389 0.698201 0.530883 ] [ 0.093611 0.301799 0.530883 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.260776 0.592481 0.689459 ] [ 0.739224 0.407519 0.689459 ] [ 0.092481 0.760776 0.189459 ] [ 0.239224 0.092481 0.810541 ] [ 0.760776 0.907519 0.810541 ] [ 0.907519 0.239224 0.189459 ] [ 0.592481 0.739224 0.310541 ] [ 0.407519 0.260776 0.310541 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.92937091 "source-unit" "angstrom" } "c" { "source-value" 7.00601648 "source-unit" "angstrom" } }