{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Rh" "Rh" "Rh" "Rh" "Ge" "Ge" "Ge" "Ge" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.2020000000 0.7000000000E-02 0.2500000000 ] [ 0.7980000000 0.9930000000 0.7500000000 ] [ 0.7020000000 0.4930000000 0.7500000000 ] [ 0.2980000000 0.5070000000 0.2500000000 ] [ 0.5640000000 0.1910000000 0.2500000000 ] [ 0.4360000000 0.8090000000 0.7500000000 ] [ 0.6400000000E-01 0.3090000000 0.7500000000 ] [ 0.9360000000 0.6910000000 0.2500000000 ] ] } "space-group" { "source-value" "Pbnm" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0.202 0.007 0.25 ] [ 0.564 0.191 0.25 ] ] } "wyckoff-species" { "source-value" [ "Rh" "Ge" ] } "temperature" { "source-unit" "K" "source-value" 297 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "angstrom" "source-value" 6.48 } "b" { "source-unit" "angstrom" "source-value" 5.7 } "c" { "source-unit" "angstrom" "source-value" 3.25 } }