{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_112" } "basis-atom-coordinates" { "source-value" [ [ 0.990922 0.495461 0 ] [ 0.504539 0.009078 0.666667 ] [ 0.504539 0.495461 0.333333 ] [ 0.731335 0.268665 0.833333 ] [ 0.129039 0.763002 0.602991 ] [ 0.236998 0.366037 0.936324 ] [ 0.633963 0.870961 0.269657 ] [ 0.731335 0.462669 0.166667 ] [ 0.537331 0.268665 0.5 ] [ 0.129039 0.366037 0.397009 ] [ 0.633963 0.763002 0.730343 ] [ 0.236998 0.870961 0.063676 ] [ 0.008033 0.840657 0.543619 ] [ 0.832624 0.991967 0.210286 ] [ 0.159343 0.167376 0.876953 ] [ 0.789713 0.590349 0.279762 ] [ 0.409651 0.199364 0.613096 ] [ 0.800636 0.210287 0.946429 ] [ 0.409651 0.210287 0.386904 ] [ 0.800636 0.590349 0.053571 ] [ 0.789713 0.199364 0.720238 ] [ 0.226652 0.346007 0.278425 ] [ 0.653993 0.880645 0.611758 ] [ 0.119355 0.773348 0.945092 ] [ 0.653993 0.773348 0.388242 ] [ 0.119355 0.346007 0.054908 ] [ 0.226652 0.880645 0.721575 ] [ 0.503449 0.660829 0.205033 ] [ 0.339171 0.84262 0.538367 ] [ 0.15738 0.496551 0.8717 ] [ 0.339171 0.496551 0.461633 ] [ 0.15738 0.660829 0.1283 ] [ 0.503449 0.84262 0.794967 ] [ 0.661817 0.49704 0.482056 ] [ 0.50296 0.164777 0.81539 ] [ 0.835223 0.338183 0.148723 ] [ 0.50296 0.338183 0.18461 ] [ 0.835223 0.49704 0.851277 ] [ 0.661817 0.164777 0.517944 ] [ 0.031433 0.490391 0.376489 ] [ 0.509609 0.541042 0.709822 ] [ 0.458958 0.968567 0.043155 ] [ 0.509609 0.968567 0.290178 ] [ 0.458958 0.490391 0.956845 ] [ 0.031433 0.541042 0.623511 ] [ 0.008033 0.167376 0.456381 ] [ 0.832624 0.840657 0.789714 ] [ 0.159343 0.991967 0.123047 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8002405168 "source-unit" "angstrom" } "c" { "source-value" 15.98017566 "source-unit" "angstrom" } }