{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.16067 0.017641 ] [ 0.75 0.83933 0.982359 ] [ 0.75 0.16067 0.482359 ] [ 0.25 0.83933 0.517641 ] [ 0.25 0.397453 0.331167 ] [ 0.75 0.602547 0.668833 ] [ 0.75 0.397453 0.168833 ] [ 0.25 0.602547 0.831167 ] [ 0 0.931085 0.25 ] [ 0.5 0.068915 0.75 ] [ 0 0.068915 0.75 ] [ 0.5 0.931085 0.25 ] [ 0.25 0.658904 0.096875 ] [ 0.75 0.341096 0.903125 ] [ 0.75 0.658904 0.403125 ] [ 0.25 0.341096 0.596875 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.55481246 "source-unit" "angstrom" } "b" { "source-value" 5.79450463 "source-unit" "angstrom" } "c" { "source-value" 11.28772539 "source-unit" "angstrom" } }