{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.24734 ] [ 0 0.75 0.75266 ] [ 0.5 0.75 0.25266 ] [ 0.5 0.25 0.74734 ] [ 0 0.75 0.062912 ] [ 0 0.25 0.937088 ] [ 0.5 0.25 0.437088 ] [ 0.5 0.75 0.562912 ] [ 0 0.75 0.389506 ] [ 0 0.25 0.610494 ] [ 0.5 0.75 0.889506 ] [ 0.5 0.25 0.110494 ] [ 0.81618 0.533823 0.328653 ] [ 0.81618 0.033823 0.671347 ] [ 0.740674 0.411117 0.049119 ] [ 0.740674 0.911117 0.950881 ] [ 0.759326 0.911117 0.450881 ] [ 0.759326 0.411117 0.549119 ] [ 0.68382 0.033823 0.171347 ] [ 0.68382 0.533823 0.828653 ] [ 0.31618 0.466177 0.171347 ] [ 0.31618 0.966177 0.828653 ] [ 0.240674 0.088883 0.549119 ] [ 0.240674 0.588883 0.450881 ] [ 0.259326 0.088883 0.049119 ] [ 0.259326 0.588883 0.950881 ] [ 0.18382 0.966177 0.328653 ] [ 0.18382 0.466177 0.671347 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.2995269 "source-unit" "angstrom" } "b" { "source-value" 4.77198902 "source-unit" "angstrom" } "c" { "source-value" 14.09550595 "source-unit" "angstrom" } }