{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0.292102 0.801494 ] [ 0.5 0.207898 0.301494 ] [ 0.5 0.792102 0.698506 ] [ 0 0.707898 0.198506 ] [ 0 0 0 ] [ 0.5 0.367451 0.085205 ] [ 0 0.132549 0.585205 ] [ 0 0.867451 0.414795 ] [ 0.5 0.632549 0.914795 ] [ 0.5 0.747545 0.333788 ] [ 0.5 0.26016 0.93184 ] [ 0 0.23984 0.43184 ] [ 0 0.76016 0.56816 ] [ 0.5 0.73984 0.06816 ] [ 0 0.752455 0.833788 ] [ 0.5 0.252455 0.666212 ] [ 0 0.247545 0.166212 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "In" "In" "In" "In" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33345734 "source-unit" "angstrom" } "b" { "source-value" 6.94813469 "source-unit" "angstrom" } "c" { "source-value" 16.38222159 "source-unit" "angstrom" } }