{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.237144 0.510676 ] [ 0.5 0.762856 0.010676 ] [ 0 0.737144 0.510676 ] [ 0 0.262856 0.010676 ] [ 0 0.996967 0.755986 ] [ 0 0.003033 0.255986 ] [ 0.5 0.496967 0.755986 ] [ 0.5 0.503033 0.255986 ] [ 0.5 0.174326 0.190627 ] [ 0.5 0.174647 0.830788 ] [ 0.5 0.825353 0.330788 ] [ 0 0.895556 0.010923 ] [ 0 0.104444 0.510923 ] [ 0.5 0.825674 0.690627 ] [ 0 0.674326 0.190627 ] [ 0 0.674647 0.830788 ] [ 0 0.325353 0.330788 ] [ 0.5 0.395556 0.010923 ] [ 0.5 0.604444 0.510923 ] [ 0 0.325674 0.690627 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "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" 3.39192376 "source-unit" "angstrom" } "b" { "source-value" 14.36227084 "source-unit" "angstrom" } "c" { "source-value" 7.78558463 "source-unit" "angstrom" } }