{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.646626 0.705016 ] [ 0.75 0.353374 0.294984 ] [ 0.25 0.146626 0.794984 ] [ 0.75 0.853374 0.205016 ] [ 0.25 0.263976 0.043932 ] [ 0.75 0.736024 0.956068 ] [ 0.25 0.763976 0.456068 ] [ 0.75 0.236024 0.543932 ] [ 0.25 0.871227 0.067361 ] [ 0.75 0.128773 0.932639 ] [ 0.25 0.371227 0.432639 ] [ 0.75 0.628773 0.567361 ] [ 0.25 0.645229 0.280408 ] [ 0.75 0.354771 0.719592 ] [ 0.25 0.145229 0.219592 ] [ 0.75 0.854771 0.780408 ] [ 0.75 0.988127 0.390554 ] [ 0.25 0.011873 0.609446 ] [ 0.75 0.488127 0.109446 ] [ 0.25 0.511873 0.890554 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "S" "S" "S" "S" "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" 4.16067355 "source-unit" "angstrom" } "b" { "source-value" 7.61656599 "source-unit" "angstrom" } "c" { "source-value" 15.88406352 "source-unit" "angstrom" } }