{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.886657 0.564468 ] [ 0.5 0.613343 0.064468 ] [ 0.5 0.386657 0.935532 ] [ 0 0.113343 0.435532 ] ] } "species" { "source-value" [ "Ca" "Ca" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89734297 "source-unit" "angstrom" } "b" { "source-value" 4.40723282 "source-unit" "angstrom" } "c" { "source-value" 5.90434913 "source-unit" "angstrom" } }