{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.023827 0.708477 ] [ 0.5 0.476173 0.208477 ] [ 0.5 0.523827 0.791523 ] [ 0.5 0.976173 0.291523 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.254914 0.1672 ] [ 0 0.754914 0.3328 ] [ 0.5 0.205305 0.900056 ] [ 0.5 0.705305 0.599944 ] [ 0.5 0.294695 0.400056 ] [ 0.5 0.794695 0.099944 ] [ 0 0.245086 0.6672 ] [ 0 0.745086 0.8328 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "F" "F" "F" "F" "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" 3.13141494 "source-unit" "angstrom" } "b" { "source-value" 5.03246065 "source-unit" "angstrom" } "c" { "source-value" 10.02302444 "source-unit" "angstrom" } }