{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.112019 0.921627 ] [ 0.25 0.612019 0.578373 ] [ 0.25 0.887981 0.078373 ] [ 0.75 0.387981 0.421627 ] [ 0.25 0.218946 0.042519 ] [ 0.75 0.7143 0.203536 ] [ 0.25 0.543897 0.335926 ] [ 0.75 0.456103 0.664074 ] [ 0.25 0.956103 0.835926 ] [ 0.25 0.2857 0.796464 ] [ 0.75 0.718946 0.457481 ] [ 0.25 0.572067 0.070255 ] [ 0.25 0.927933 0.570255 ] [ 0.75 0.7857 0.703536 ] [ 0.75 0.384134 0.184251 ] [ 0.75 0.072067 0.429745 ] [ 0.25 0.281054 0.542519 ] [ 0.75 0.781054 0.957481 ] [ 0.25 0.2143 0.296464 ] [ 0.75 0.043897 0.164074 ] [ 0.25 0.615866 0.815749 ] [ 0.75 0.427933 0.929745 ] [ 0.25 0.884134 0.315749 ] [ 0.75 0.115866 0.684251 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.06671121 "source-unit" "angstrom" } "b" { "source-value" 8.21577673 "source-unit" "angstrom" } "c" { "source-value" 10.89502151 "source-unit" "angstrom" } }