{ "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 0.832499 0.588055 ] [ 0.25 0.167501 0.411945 ] [ 0.75 0.332499 0.911945 ] [ 0.25 0.667501 0.088055 ] [ 0.75 0.513168 0.303918 ] [ 0.25 0.486832 0.696082 ] [ 0.75 0.013168 0.196082 ] [ 0.25 0.986832 0.803918 ] [ 0.75 0.767481 0.920557 ] [ 0.25 0.232519 0.079443 ] [ 0.75 0.267481 0.579443 ] [ 0.25 0.732519 0.420557 ] [ 0.75 0.205883 0.433667 ] [ 0.25 0.794117 0.566333 ] [ 0.75 0.705883 0.066333 ] [ 0.25 0.294117 0.933667 ] [ 0.75 0.971133 0.917004 ] [ 0.25 0.028867 0.082996 ] [ 0.75 0.471133 0.582996 ] [ 0.25 0.528867 0.417004 ] [ 0.969231 0.693233 0.850602 ] [ 0.469231 0.306767 0.149398 ] [ 0.530769 0.193233 0.649398 ] [ 0.030769 0.806767 0.350602 ] [ 0.030769 0.306767 0.149398 ] [ 0.530769 0.693233 0.850602 ] [ 0.469231 0.806767 0.350602 ] [ 0.969231 0.193233 0.649398 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "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" 6.16170412 "source-unit" "angstrom" } "b" { "source-value" 8.14347199 "source-unit" "angstrom" } "c" { "source-value" 10.9360102 "source-unit" "angstrom" } }