{ "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 0.873498 ] [ 0 0 0.126502 ] [ 0 0.5 0 ] [ 0.5 0.5 0.373498 ] [ 0.5 0.5 0.626502 ] [ 0.5 0 0.5 ] [ 0.5 0.30349 0.177319 ] [ 0.5 0.30349 0.822681 ] [ 0.5 0.69651 0.822681 ] [ 0.5 0.69651 0.177319 ] [ 0 0.80349 0.677319 ] [ 0 0.80349 0.322681 ] [ 0 0.19651 0.322681 ] [ 0 0.19651 0.677319 ] [ 0 0.5 0.781168 ] [ 0 0.5 0.218832 ] [ 0.5 0.804263 0 ] [ 0.5 0.195737 0 ] [ 0.5 0 0.281168 ] [ 0.5 0 0.718832 ] [ 0 0.304263 0.5 ] [ 0 0.695737 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.91871368138 "source-unit" "angstrom" } "b" { "source-value" 6.63581731445 "source-unit" "angstrom" } "c" { "source-value" 12.9564927203 "source-unit" "angstrom" } }