{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.139533 0.25 0.028372 ] [ 0.360467 0.25 0.528372 ] [ 0.639533 0.75 0.471628 ] [ 0.860467 0.75 0.971628 ] [ 0.359527 0.75 0.122057 ] [ 0.640473 0.25 0.877943 ] [ 0.859527 0.25 0.377943 ] [ 0.140473 0.75 0.622057 ] [ 0.09484 0.552136 0.322535 ] [ 0.09484 0.947864 0.322535 ] [ 0.40516 0.552136 0.822535 ] [ 0.90516 0.447864 0.677465 ] [ 0.59484 0.447864 0.177465 ] [ 0.90516 0.052136 0.677465 ] [ 0.40516 0.947864 0.822535 ] [ 0.59484 0.052136 0.177465 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.5361814 "source-unit" "angstrom" } "b" { "source-value" 7.00969435 "source-unit" "angstrom" } "c" { "source-value" 7.36814571 "source-unit" "angstrom" } }