{ "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 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.523537 0.75 0.819918 ] [ 0.023537 0.25 0.680082 ] [ 0.476463 0.25 0.180082 ] [ 0.976463 0.75 0.319918 ] [ 0.173821 0.475199 0.625708 ] [ 0.673821 0.524801 0.874292 ] [ 0.826179 0.975199 0.374292 ] [ 0.326179 0.024801 0.125708 ] [ 0.826179 0.524801 0.374292 ] [ 0.326179 0.475199 0.125708 ] [ 0.173821 0.024801 0.625708 ] [ 0.673821 0.975199 0.874292 ] [ 0.184184 0.75 0.886294 ] [ 0.684184 0.25 0.613706 ] [ 0.815816 0.25 0.113706 ] [ 0.315816 0.75 0.386294 ] [ 0.585793 0.75 0.629087 ] [ 0.085793 0.25 0.870913 ] [ 0.414207 0.25 0.370913 ] [ 0.914207 0.75 0.129087 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "As" "As" "As" "As" "O" "O" "O" "O" "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" 4.86653298 "source-unit" "angstrom" } "b" { "source-value" 6.42988379 "source-unit" "angstrom" } "c" { "source-value" 9.13748281 "source-unit" "angstrom" } }