{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.026851 0.924637 0.75 ] [ 0.526851 0.575363 0.25 ] [ 0.473149 0.424637 0.75 ] [ 0.973149 0.075363 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.894442 0.536534 0.75 ] [ 0.394442 0.963466 0.25 ] [ 0.605558 0.036534 0.75 ] [ 0.105558 0.463466 0.25 ] [ 0.684319 0.302584 0.449006 ] [ 0.184319 0.197416 0.550994 ] [ 0.815681 0.802584 0.050994 ] [ 0.315681 0.697416 0.949006 ] [ 0.684319 0.302584 0.050994 ] [ 0.184319 0.197416 0.949006 ] [ 0.815681 0.802584 0.449006 ] [ 0.315681 0.697416 0.550994 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.38091487 "source-unit" "angstrom" } "b" { "source-value" 5.98659921 "source-unit" "angstrom" } "c" { "source-value" 7.85229276 "source-unit" "angstrom" } }