{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.880527 0.25 ] [ 0 0.119473 0.75 ] [ 0.5 0.380527 0.25 ] [ 0.5 0.619473 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.075271 0.25 ] [ 0 0.924729 0.75 ] [ 0.5 0.187545 0.05339 ] [ 0.5 0.812455 0.94661 ] [ 0.5 0.812455 0.55339 ] [ 0.5 0.187545 0.44661 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.575271 0.25 ] [ 0.5 0.424729 0.75 ] [ 0 0.687545 0.05339 ] [ 0 0.312455 0.94661 ] [ 0 0.312455 0.55339 ] [ 0 0.687545 0.44661 ] [ 0 0.227959 0.25 ] [ 0 0.772041 0.75 ] [ 0.5 0.727959 0.25 ] [ 0.5 0.272041 0.75 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.02439169345 "source-unit" "angstrom" } "b" { "source-value" 15.2403438497 "source-unit" "angstrom" } "c" { "source-value" 6.65822302 "source-unit" "angstrom" } }