{ "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 0.517019 0.675884 ] [ 0.25 0.017019 0.824116 ] [ 0.75 0.982981 0.175884 ] [ 0.75 0.482981 0.324116 ] [ 0.75 0.838726 0.571163 ] [ 0.25 0.161274 0.428837 ] [ 0.75 0.338726 0.928837 ] [ 0.25 0.661274 0.071163 ] [ 0.75 0.717395 0.884109 ] [ 0.25 0.782605 0.384109 ] [ 0.25 0.282605 0.115891 ] [ 0.75 0.217395 0.615891 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ni" "Ni" "Ni" "Ni" "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" 3.77406282 "source-unit" "angstrom" } "b" { "source-value" 6.2977098 "source-unit" "angstrom" } "c" { "source-value" 7.21972985 "source-unit" "angstrom" } }