{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.531107 0.180745 ] [ 0.25 0.968893 0.680745 ] [ 0.75 0.031107 0.319255 ] [ 0.25 0.468893 0.819255 ] [ 0.25 0.755171 0.374472 ] [ 0.25 0.255171 0.125528 ] [ 0.75 0.244829 0.625528 ] [ 0.75 0.744829 0.874472 ] [ 0.25 0.846723 0.060924 ] [ 0.25 0.346723 0.439076 ] [ 0.75 0.653277 0.560924 ] [ 0.75 0.153277 0.939076 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "P" "P" "P" "P" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.85765905 "source-unit" "angstrom" } "b" { "source-value" 6.65043112 "source-unit" "angstrom" } "c" { "source-value" 7.4751487 "source-unit" "angstrom" } }