{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.195721 0.297511 ] [ 0 0.528688 0.109417 ] [ 0.5 0.915098 0.079741 ] [ 0 0.884653 0.927688 ] [ 0 0.8588 0.477779 ] [ 0.5 0.695721 0.202489 ] [ 0.5 0.384653 0.572312 ] [ 0 0.584902 0.579741 ] [ 0.5 0.615347 0.427688 ] [ 0 0.079414 0.756311 ] [ 0.5 0.6412 0.977779 ] [ 0 0.1412 0.522221 ] [ 0 0.415098 0.420259 ] [ 0.5 0.420586 0.256311 ] [ 0.5 0.579414 0.743689 ] [ 0.5 0.971312 0.609417 ] [ 0.5 0.3588 0.022221 ] [ 0 0.115347 0.072312 ] [ 0.5 0.084902 0.920259 ] [ 0 0.471312 0.890583 ] [ 0 0.804279 0.702489 ] [ 0.5 0.304279 0.797511 ] [ 0 0.920586 0.243689 ] [ 0.5 0.028688 0.390583 ] [ 0 0.419653 0.704085 ] [ 0 0.245676 0.919143 ] [ 0 0.312435 0.150888 ] [ 0.5 0.745676 0.580857 ] [ 0.5 0.254324 0.419143 ] [ 0 0.580347 0.295915 ] [ 0.5 0.187565 0.650888 ] [ 0 0.754324 0.080857 ] [ 0.5 0.812435 0.349112 ] [ 0 0.687565 0.849112 ] [ 0.5 0.080347 0.204085 ] [ 0.5 0.919653 0.795915 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.49248858 "source-unit" "angstrom" } "b" { "source-value" 11.9378538 "source-unit" "angstrom" } "c" { "source-value" 14.95049595 "source-unit" "angstrom" } }