{ "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 0.522162 0.323756 ] [ 0.25 0.022162 0.176244 ] [ 0.75 0.977838 0.823756 ] [ 0.75 0.477838 0.676244 ] [ 0.75 0.358211 0.063116 ] [ 0.25 0.141789 0.563116 ] [ 0.75 0.858211 0.436884 ] [ 0.25 0.641789 0.936884 ] [ 0.25 0.777095 0.619462 ] [ 0.25 0.277095 0.880538 ] [ 0.75 0.222905 0.380538 ] [ 0.75 0.722905 0.119462 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Fe" "Fe" "Fe" "Fe" "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" 3.59226814 "source-unit" "angstrom" } "b" { "source-value" 6.12261431 "source-unit" "angstrom" } "c" { "source-value" 6.94708954 "source-unit" "angstrom" } }