{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.130583 0.103219 ] [ 0.75 0.918458 0.25 ] [ 0.25 0.130583 0.396781 ] [ 0.25 0.662067 0.75 ] [ 0.75 0.869417 0.603219 ] [ 0.25 0.081542 0.75 ] [ 0.75 0.869417 0.896781 ] [ 0.75 0.337933 0.25 ] [ 0.75 0.874055 0.75 ] [ 0.25 0.125945 0.25 ] [ 0.75 0.394043 0.420349 ] [ 0.25 0.140072 0.923923 ] [ 0.25 0.628858 0.25 ] [ 0.25 0.605957 0.579651 ] [ 0.75 0.394043 0.079651 ] [ 0.75 0.859928 0.076077 ] [ 0.25 0.605957 0.920349 ] [ 0.25 0.140072 0.576077 ] [ 0.75 0.859928 0.423923 ] [ 0.75 0.371142 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ni" "Ni" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22540944 "source-unit" "angstrom" } "b" { "source-value" 9.13763708591 "source-unit" "angstrom" } "c" { "source-value" 19.1348425822 "source-unit" "angstrom" } }