{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.990471 0.811254 ] [ 0.75 0.509529 0.311254 ] [ 0.25 0.490471 0.688746 ] [ 0.75 0.009529 0.188746 ] [ 0.25 0.799502 0.393679 ] [ 0.75 0.700498 0.893679 ] [ 0.25 0.299502 0.106321 ] [ 0.75 0.200498 0.606321 ] [ 0.75 0.844413 0.565357 ] [ 0.25 0.655587 0.065357 ] [ 0.75 0.344413 0.934643 ] [ 0.25 0.155587 0.434643 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Si" "Si" "Si" "Si" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.26345686 "source-unit" "angstrom" } "b" { "source-value" 6.85939057 "source-unit" "angstrom" } "c" { "source-value" 7.10817423 "source-unit" "angstrom" } }