{ "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" [ [ 0.020425 0.916476 0.75 ] [ 0.520425 0.583524 0.25 ] [ 0.479575 0.416476 0.75 ] [ 0.979575 0.083524 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.696416 0.327713 0.438098 ] [ 0.196416 0.172287 0.561902 ] [ 0.803584 0.827713 0.061902 ] [ 0.303584 0.672287 0.938098 ] [ 0.303584 0.672287 0.561902 ] [ 0.803584 0.827713 0.438098 ] [ 0.196416 0.172287 0.938098 ] [ 0.696416 0.327713 0.061902 ] [ 0.130722 0.449559 0.25 ] [ 0.630722 0.050441 0.75 ] [ 0.869278 0.550441 0.75 ] [ 0.369278 0.949559 0.25 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "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" 5.24204629 "source-unit" "angstrom" } "b" { "source-value" 5.77808719 "source-unit" "angstrom" } "c" { "source-value" 7.43592441 "source-unit" "angstrom" } }