{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.501059 0.133331 ] [ 0.75 0.498941 0.866669 ] [ 0.75 0.001059 0.366669 ] [ 0.25 0.998941 0.633331 ] [ 0.25 0.12583 0.95467 ] [ 0.75 0.62583 0.54533 ] [ 0.75 0.87417 0.04533 ] [ 0.25 0.37417 0.45467 ] [ 0.25 0.262034 0.794415 ] [ 0.75 0.737966 0.205585 ] [ 0.75 0.762034 0.705585 ] [ 0.25 0.237966 0.294415 ] [ 0.25 0.745211 0.959921 ] [ 0.25 0.754789 0.459921 ] [ 0.75 0.245211 0.540079 ] [ 0.75 0.254789 0.040079 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Cu" "Cu" "Cu" "Cu" "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" 3.93156254 "source-unit" "angstrom" } "b" { "source-value" 6.23098357 "source-unit" "angstrom" } "c" { "source-value" 13.3297248 "source-unit" "angstrom" } }