{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.006327 0.75 0.728006 ] [ 0.993673 0.25 0.271994 ] [ 0.493673 0.75 0.228006 ] [ 0.506327 0.25 0.771994 ] [ 0.064393 0.25 0.593797 ] [ 0.435607 0.25 0.093797 ] [ 0.935607 0.75 0.406203 ] [ 0.564393 0.75 0.906203 ] [ 0.781907 0.25 0.096369 ] [ 0.227154 0.472132 0.669874 ] [ 0.727154 0.527868 0.830126 ] [ 0.772846 0.972132 0.330126 ] [ 0.272846 0.027868 0.169874 ] [ 0.772846 0.527868 0.330126 ] [ 0.272846 0.472132 0.169874 ] [ 0.227154 0.027868 0.669874 ] [ 0.218093 0.75 0.903631 ] [ 0.718093 0.25 0.596369 ] [ 0.727154 0.972132 0.830126 ] [ 0.281907 0.75 0.403631 ] [ 0.70486 0.75 0.057456 ] [ 0.29514 0.25 0.942544 ] [ 0.20486 0.25 0.442544 ] [ 0.79514 0.75 0.557456 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.93003278 "source-unit" "angstrom" } "b" { "source-value" 5.98432846 "source-unit" "angstrom" } "c" { "source-value" 10.44696011 "source-unit" "angstrom" } }