{ "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 0.254164 0.083711 ] [ 0.75 0.745836 0.916289 ] [ 0.25 0.754164 0.416289 ] [ 0.75 0.245836 0.583711 ] [ 0.25 0.421646 0.743906 ] [ 0.75 0.578354 0.256094 ] [ 0.25 0.921646 0.756094 ] [ 0.75 0.078354 0.243906 ] [ 0.459801 0.921079 0.683731 ] [ 0.959801 0.078921 0.316269 ] [ 0.040199 0.421079 0.816269 ] [ 0.540199 0.578921 0.183731 ] [ 0.75 0.085243 0.09951 ] [ 0.25 0.914757 0.90049 ] [ 0.75 0.585243 0.40049 ] [ 0.25 0.414757 0.59951 ] [ 0.540199 0.078921 0.316269 ] [ 0.040199 0.921079 0.683731 ] [ 0.959801 0.578921 0.183731 ] [ 0.459801 0.421079 0.816269 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "C" "C" "C" "C" "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" 5.37774023 "source-unit" "angstrom" } "b" { "source-value" 6.59571539 "source-unit" "angstrom" } "c" { "source-value" 9.01356166 "source-unit" "angstrom" } }