{ "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" [ [ 0.75 0.343857 0.101268 ] [ 0.25 0.156143 0.601268 ] [ 0.25 0.966165 0.168918 ] [ 0.75 0.843857 0.398732 ] [ 0.75 0.533835 0.668918 ] [ 0.25 0.656143 0.898732 ] [ 0.25 0.466165 0.331082 ] [ 0.75 0.033835 0.831082 ] [ 0.75 0.752685 0.078922 ] [ 0.25 0.747315 0.578922 ] [ 0.25 0.247315 0.921078 ] [ 0.75 0.252685 0.421078 ] [ 0.99212 0.166823 0.351206 ] [ 0.00788 0.833177 0.648794 ] [ 0.75 0.463969 0.395737 ] [ 0.00788 0.333177 0.851206 ] [ 0.75 0.709114 0.91471 ] [ 0.25 0.290886 0.08529 ] [ 0.25 0.790886 0.41471 ] [ 0.99212 0.666823 0.148794 ] [ 0.49212 0.833177 0.648794 ] [ 0.25 0.536031 0.604263 ] [ 0.75 0.963969 0.104263 ] [ 0.50788 0.166823 0.351206 ] [ 0.75 0.209114 0.58529 ] [ 0.50788 0.666823 0.148794 ] [ 0.49212 0.333177 0.851206 ] [ 0.25 0.036031 0.895737 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39571061 "source-unit" "angstrom" } "b" { "source-value" 10.32629955 "source-unit" "angstrom" } "c" { "source-value" 13.14450649 "source-unit" "angstrom" } }