{ "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" [ [ 0.019309 0.916428 0.75 ] [ 0.519309 0.583572 0.25 ] [ 0.480691 0.416428 0.75 ] [ 0.980691 0.083572 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.698473 0.327149 0.441577 ] [ 0.198473 0.172851 0.558423 ] [ 0.801527 0.827149 0.058423 ] [ 0.301527 0.672851 0.941577 ] [ 0.301527 0.672851 0.558423 ] [ 0.801527 0.827149 0.441577 ] [ 0.198473 0.172851 0.941577 ] [ 0.698473 0.327149 0.058423 ] [ 0.123685 0.454472 0.25 ] [ 0.623685 0.045528 0.75 ] [ 0.376315 0.954472 0.25 ] [ 0.876315 0.545528 0.75 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Mn" "Mn" "Mn" "Mn" "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" 5.2935787 "source-unit" "angstrom" } "b" { "source-value" 5.84403211 "source-unit" "angstrom" } "c" { "source-value" 7.4557932 "source-unit" "angstrom" } }