{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2me" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.220179 0.746475 ] [ 0.75 0.220179 0.253525 ] [ 0.75 0.720179 0.746475 ] [ 0.25 0.720179 0.253525 ] [ 0.25 0.197821 0.352556 ] [ 0.75 0.197821 0.647444 ] [ 0.75 0.697821 0.352556 ] [ 0.25 0.697821 0.647444 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41621095 "source-unit" "angstrom" } "b" { "source-value" 5.47493711 "source-unit" "angstrom" } "c" { "source-value" 6.3161596 "source-unit" "angstrom" } }