{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.874368 ] [ 0 0.5 0.125632 ] [ 0 0 0 ] [ 0.5 0 0.374368 ] [ 0.5 0 0.625632 ] [ 0.5 0.5 0.5 ] [ 0.5 0.688284 0 ] [ 0.5 0.311716 0 ] [ 0 0 0.217935 ] [ 0 0 0.782065 ] [ 0 0.188284 0.5 ] [ 0 0.811716 0.5 ] [ 0.5 0.5 0.717935 ] [ 0.5 0.5 0.282065 ] [ 0.5 0.798499 0.825099 ] [ 0.5 0.798499 0.174901 ] [ 0.5 0.201501 0.825099 ] [ 0.5 0.201501 0.174901 ] [ 0 0.298499 0.325099 ] [ 0 0.298499 0.674901 ] [ 0 0.701501 0.325099 ] [ 0 0.701501 0.674901 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 4.14493628 "source-unit" "angstrom" } "b" { "source-value" 7.09606541 "source-unit" "angstrom" } "c" { "source-value" 13.90397069 "source-unit" "angstrom" } }