{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.939606 0.506155 ] [ 0.75 0.560394 0.006155 ] [ 0.25 0.060394 0.493845 ] [ 0.25 0.439606 0.993845 ] [ 0.038527 0.963829 0.868163 ] [ 0.961473 0.463829 0.631837 ] [ 0.038527 0.536171 0.368163 ] [ 0.461473 0.536171 0.368163 ] [ 0.538527 0.036171 0.131837 ] [ 0.538527 0.463829 0.631837 ] [ 0.461473 0.963829 0.868163 ] [ 0.961473 0.036171 0.131837 ] [ 0.25 0.654747 0.667146 ] [ 0.75 0.345253 0.332854 ] [ 0.75 0.154747 0.832854 ] [ 0.25 0.845253 0.167146 ] [ 0.550283 0.274122 0.272406 ] [ 0.550283 0.225878 0.772406 ] [ 0.25 0.48972 0.540886 ] [ 0.75 0.98972 0.959114 ] [ 0.75 0.51028 0.459114 ] [ 0.949717 0.225878 0.772406 ] [ 0.449717 0.774122 0.227594 ] [ 0.949717 0.274122 0.272406 ] [ 0.25 0.01028 0.040886 ] [ 0.050283 0.774122 0.227594 ] [ 0.449717 0.725878 0.727594 ] [ 0.050283 0.725878 0.727594 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "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" 8.08448063 "source-unit" "angstrom" } "b" { "source-value" 8.12651111 "source-unit" "angstrom" } "c" { "source-value" 10.11399442 "source-unit" "angstrom" } }