{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "O" "O" "O" "O" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.1150000000 0.2500000000 0.2450000000 ] [ 0.8850000000 0.7500000000 0.7550000000 ] [ 0.3850000000 0.7500000000 0.7450000000 ] [ 0.6150000000 0.2500000000 0.2550000000 ] [ 0.3650000000 0.2500000000 0.5850000000 ] [ 0.6350000000 0.7500000000 0.4150000000 ] [ 0.1350000000 0.7500000000 0.8500000000E-01 ] [ 0.8650000000 0.2500000000 0.9150000000 ] ] } "space-group" { "source-value" "Pnma" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0.115 0.25 0.245 ] [ 0.365 0.25 0.585 ] ] } "wyckoff-species" { "source-value" [ "Hg" "O" ] } "temperature" { "source-unit" "K" "source-value" 297 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "angstrom" "source-value" 6.6121 } "b" { "source-unit" "angstrom" "source-value" 5.5201 } "c" { "source-unit" "angstrom" "source-value" 3.5213 } }