{ "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" [ [ 0.022737 0.927292 0.75 ] [ 0.477263 0.427292 0.75 ] [ 0.522737 0.572708 0.25 ] [ 0.977263 0.072708 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.125806 0.450346 0.25 ] [ 0.187895 0.193595 0.563595 ] [ 0.187895 0.193595 0.936405 ] [ 0.312105 0.693595 0.563595 ] [ 0.312105 0.693595 0.936405 ] [ 0.374194 0.950346 0.25 ] [ 0.625806 0.049654 0.75 ] [ 0.687895 0.306405 0.063595 ] [ 0.687895 0.306405 0.436405 ] [ 0.812105 0.806405 0.063595 ] [ 0.812105 0.806405 0.436405 ] [ 0.874194 0.549654 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Cr" "Cr" "Cr" "Cr" "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" 5.21140066 "source-unit" "angstrom" } "b" { "source-value" 5.56340813 "source-unit" "angstrom" } "c" { "source-value" 7.57531282 "source-unit" "angstrom" } }