{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.939068 0.75 0.591712 ] [ 0.560932 0.75 0.091712 ] [ 0.439068 0.25 0.908288 ] [ 0.060932 0.25 0.408288 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.040034 0.25 0.709334 ] [ 0.459966 0.25 0.209334 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.540034 0.75 0.790666 ] [ 0.959966 0.75 0.290666 ] [ 0.735304 0.75 0.443164 ] [ 0.764696 0.75 0.943164 ] [ 0.235304 0.25 0.056836 ] [ 0.264696 0.25 0.556836 ] [ 0.767561 0.985525 0.671602 ] [ 0.767561 0.514475 0.671602 ] [ 0.800806 0.25 0.888423 ] [ 0.699194 0.25 0.388423 ] [ 0.732439 0.985525 0.171602 ] [ 0.732439 0.514475 0.171602 ] [ 0.267561 0.485525 0.828398 ] [ 0.267561 0.014475 0.828398 ] [ 0.300806 0.75 0.611577 ] [ 0.199194 0.75 0.111577 ] [ 0.232439 0.485525 0.328398 ] [ 0.232439 0.014475 0.328398 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08912255 "source-unit" "angstrom" } "b" { "source-value" 6.27054892 "source-unit" "angstrom" } "c" { "source-value" 11.0205074 "source-unit" "angstrom" } }