{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.714673 0.949561 0.768688 ] [ 0.214673 0.550439 0.268688 ] [ 0.714673 0.449561 0.731312 ] [ 0.214673 0.050439 0.231312 ] [ 0.218953 0.22006 0.578658 ] [ 0.718953 0.27994 0.078658 ] [ 0.218953 0.72006 0.921342 ] [ 0.718953 0.77994 0.421342 ] [ 0.723923 0.190607 0.449379 ] [ 0.223923 0.309393 0.949379 ] [ 0.723923 0.690607 0.050621 ] [ 0.223923 0.809393 0.550621 ] [ 0.685746 0.008372 0.534596 ] [ 0.485107 0.288289 0.42976 ] [ 0.848463 0.168822 0.276873 ] [ 0.884135 0.299886 0.57041 ] [ 0.384135 0.200114 0.07041 ] [ 0.348463 0.331178 0.776873 ] [ 0.985107 0.211711 0.92976 ] [ 0.185746 0.491628 0.034596 ] [ 0.685746 0.508372 0.965404 ] [ 0.485107 0.788289 0.07024 ] [ 0.848463 0.668822 0.223127 ] [ 0.884135 0.799886 0.92959 ] [ 0.384135 0.700114 0.42959 ] [ 0.348463 0.831178 0.723127 ] [ 0.985107 0.711711 0.57024 ] [ 0.185746 0.991628 0.465404 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "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" 5.65704384 "source-unit" "angstrom" } "b" { "source-value" 7.59471863 "source-unit" "angstrom" } "c" { "source-value" 8.0302497 "source-unit" "angstrom" } }