{ "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" [ [ 0.75 0.025415 0.844679 ] [ 0.75 0.474585 0.344679 ] [ 0.25 0.974585 0.155321 ] [ 0.75 0.250478 0.555482 ] [ 0.25 0.750478 0.944518 ] [ 0.75 0.249522 0.055482 ] [ 0.25 0.130479 0.366414 ] [ 0.25 0.749522 0.444518 ] [ 0.75 0.869521 0.633586 ] [ 0.75 0.630479 0.133586 ] [ 0.25 0.369521 0.866414 ] [ 0.25 0.525415 0.655321 ] [ 0.75 0.636258 0.793014 ] [ 0.25 0.363742 0.206986 ] [ 0.25 0.136258 0.706986 ] [ 0.75 0.863742 0.293014 ] [ 0.75 0.174083 0.238215 ] [ 0.25 0.466475 0.047536 ] [ 0.75 0.325917 0.738215 ] [ 0.25 0.085423 0.970215 ] [ 0.25 0.033525 0.547536 ] [ 0.25 0.825917 0.761785 ] [ 0.75 0.533525 0.952464 ] [ 0.75 0.585423 0.529785 ] [ 0.75 0.966475 0.452464 ] [ 0.25 0.674083 0.261785 ] [ 0.25 0.414577 0.470215 ] [ 0.75 0.914577 0.029785 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63163672 "source-unit" "angstrom" } "b" { "source-value" 9.0536841 "source-unit" "angstrom" } "c" { "source-value" 16.7957513 "source-unit" "angstrom" } }