{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Ge" "Ge" "Ge" "Ge" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.1880000000 0.5000000000E-02 0.2500000000 ] [ 0.8120000000 0.9950000000 0.7500000000 ] [ 0.6880000000 0.4950000000 0.7500000000 ] [ 0.3120000000 0.5050000000 0.2500000000 ] [ 0.5750000000 0.1900000000 0.2500000000 ] [ 0.4250000000 0.8100000000 0.7500000000 ] [ 0.7500000000E-01 0.3100000000 0.7500000000 ] [ 0.9250000000 0.6900000000 0.2500000000 ] ] } "space-group" { "source-value" "Pbnm" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0.188 0.005 0.25 ] [ 0.575 0.19 0.25 ] ] } "wyckoff-species" { "source-value" [ "Pd" "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" 6.259 } "b" { "source-unit" "angstrom" "source-value" 5.782 } "c" { "source-unit" "angstrom" "source-value" 3.481 } }