{ "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 0.465207 0.316778 ] [ 0.25 0.534793 0.683222 ] [ 0.75 0.965207 0.183222 ] [ 0.25 0.034793 0.816778 ] [ 0.75 0.757193 0.875955 ] [ 0.25 0.742807 0.375955 ] [ 0.25 0.242807 0.124045 ] [ 0.75 0.257193 0.624045 ] [ 0.25 0.144481 0.438676 ] [ 0.25 0.644481 0.061324 ] [ 0.75 0.355519 0.938676 ] [ 0.75 0.855519 0.561324 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ge" "Ge" "Ge" "Ge" "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" 3.88011565 "source-unit" "angstrom" } "b" { "source-value" 6.41143651 "source-unit" "angstrom" } "c" { "source-value" 7.60929665 "source-unit" "angstrom" } }