{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.955321 0.751979 ] [ 0.25 0.865884 0.364748 ] [ 0.75 0.634116 0.864748 ] [ 0.75 0.544679 0.251979 ] [ 0.25 0.455321 0.748021 ] [ 0.25 0.365884 0.135252 ] [ 0.75 0.134116 0.635252 ] [ 0.75 0.044679 0.248021 ] [ 0.75 0.782951 0.630897 ] [ 0.75 0.799739 0.23856 ] [ 0.75 0.906154 0.482979 ] [ 0.75 0.891785 0.86989 ] [ 0.25 0.608215 0.36989 ] [ 0.25 0.593846 0.982979 ] [ 0.25 0.700261 0.73856 ] [ 0.25 0.717049 0.130897 ] [ 0.75 0.282951 0.869103 ] [ 0.75 0.299739 0.26144 ] [ 0.75 0.406154 0.017021 ] [ 0.75 0.391785 0.63011 ] [ 0.25 0.108215 0.13011 ] [ 0.25 0.093846 0.517021 ] [ 0.25 0.200261 0.76144 ] [ 0.25 0.217049 0.369103 ] [ 0.25 0.783683 0.88812 ] [ 0.25 0.894593 0.589679 ] [ 0.25 0.914149 0.198378 ] [ 0.75 0.585851 0.698378 ] [ 0.75 0.605407 0.089679 ] [ 0.75 0.716317 0.38812 ] [ 0.25 0.283683 0.61188 ] [ 0.25 0.394593 0.910321 ] [ 0.25 0.414149 0.301622 ] [ 0.75 0.085851 0.801622 ] [ 0.75 0.105407 0.410321 ] [ 0.75 0.216317 0.11188 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.87170352 "source-unit" "angstrom" } "b" { "source-value" 10.390655 "source-unit" "angstrom" } "c" { "source-value" 14.36661089 "source-unit" "angstrom" } }