{ "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" [ [ 0.25 0.532957 0.167798 ] [ 0.25 0.032957 0.332202 ] [ 0.75 0.967043 0.667798 ] [ 0.75 0.467043 0.832202 ] [ 0.75 0.358328 0.439724 ] [ 0.25 0.141672 0.939724 ] [ 0.75 0.858328 0.060276 ] [ 0.25 0.641672 0.560276 ] [ 0.25 0.762508 0.85585 ] [ 0.25 0.262508 0.64415 ] [ 0.75 0.237492 0.14415 ] [ 0.75 0.737492 0.35585 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Nb" "Nb" "Nb" "Nb" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.54087495 "source-unit" "angstrom" } "b" { "source-value" 6.88863322 "source-unit" "angstrom" } "c" { "source-value" 8.32184646 "source-unit" "angstrom" } }