{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.012087 0.545383 0.587592 ] [ 0.512087 0.954617 0.412408 ] [ 0.987913 0.045383 0.912408 ] [ 0.487913 0.454617 0.087592 ] [ 0.950443 0.244612 0.350094 ] [ 0.450443 0.255388 0.649906 ] [ 0.049557 0.744612 0.149906 ] [ 0.549557 0.755388 0.850094 ] [ 0.989903 0.494244 0.902684 ] [ 0.489903 0.005756 0.097316 ] [ 0.010097 0.994244 0.597316 ] [ 0.510097 0.505756 0.402684 ] [ 0.204844 0.486902 0.837436 ] [ 0.704844 0.013098 0.162564 ] [ 0.795156 0.986902 0.662564 ] [ 0.295156 0.513098 0.337436 ] [ 0.721969 0.490889 0.332904 ] [ 0.221969 0.009111 0.667096 ] [ 0.278031 0.990889 0.167096 ] [ 0.778031 0.509111 0.832904 ] [ 0.017919 0.986497 0.459457 ] [ 0.517919 0.513503 0.540543 ] [ 0.982081 0.486497 0.040543 ] [ 0.482081 0.013503 0.959457 ] [ 0.045039 0.31428 0.57091 ] [ 0.545039 0.18572 0.42909 ] [ 0.954961 0.81428 0.92909 ] [ 0.454961 0.68572 0.07091 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "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" 5.25264411 "source-unit" "angstrom" } "b" { "source-value" 9.49909698 "source-unit" "angstrom" } "c" { "source-value" 9.50266167 "source-unit" "angstrom" } }