{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.05223 0 0 ] [ 0.05223 0 0.5 ] [ 0.55223 0.5 0 ] [ 0.55223 0.5 0.5 ] [ 0.630223 0.871616 0.75 ] [ 0.630223 0.128384 0.25 ] [ 0.130223 0.371616 0.75 ] [ 0.130223 0.628384 0.25 ] [ 0.005415 0.32967 0.895849 ] [ 0.005415 0.32967 0.604151 ] [ 0.9256 0.967388 0.75 ] [ 0.005415 0.67033 0.395849 ] [ 0.005415 0.67033 0.104151 ] [ 0.9256 0.032612 0.25 ] [ 0.505415 0.82967 0.895849 ] [ 0.505415 0.82967 0.604151 ] [ 0.4256 0.467388 0.75 ] [ 0.505415 0.17033 0.395849 ] [ 0.505415 0.17033 0.104151 ] [ 0.4256 0.532612 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "B" "B" "B" "B" "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" 4.12407727 "source-unit" "angstrom" } "b" { "source-value" 6.77938804 "source-unit" "angstrom" } "c" { "source-value" 8.67174697 "source-unit" "angstrom" } }