{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1ma" } "basis-atom-coordinates" { "source-value" [ [ 0.252073 0.636833 0.130548 ] [ 0.252073 0.636833 0.869452 ] [ 0.747927 0.136833 0.869452 ] [ 0.747927 0.136833 0.130548 ] [ 0.993563 0.576634 0.239375 ] [ 0.993563 0.576634 0.760625 ] [ 0.006437 0.076634 0.760625 ] [ 0.006437 0.076634 0.239375 ] [ 0.348947 0.282489 0.369603 ] [ 0.348947 0.282489 0.630397 ] [ 0.651053 0.782489 0.630397 ] [ 0.651053 0.782489 0.369603 ] [ 0.573079 0.397567 0.261052 ] [ 0.573079 0.397567 0.738948 ] [ 0.426921 0.897567 0.738948 ] [ 0.426921 0.897567 0.261052 ] [ 0.953011 0.5736 0 ] [ 0.046989 0.0736 0 ] [ 0.613947 0.402802 0.5 ] [ 0.386053 0.902802 0.5 ] [ 0.6541 0.506271 0 ] [ 0.3459 0.006271 0 ] [ 0.876841 0.526273 0.5 ] [ 0.123159 0.026273 0.5 ] [ 0.073893 0.600076 0.133229 ] [ 0.073893 0.600076 0.866771 ] [ 0.926107 0.100076 0.866771 ] [ 0.926107 0.100076 0.133229 ] [ 0.508176 0.352779 0.366092 ] [ 0.508176 0.352779 0.633908 ] [ 0.491824 0.852779 0.633908 ] [ 0.491824 0.852779 0.366092 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.49704284 "source-unit" "angstrom" } "b" { "source-value" 7.51884619 "source-unit" "angstrom" } "c" { "source-value" 8.57748367 "source-unit" "angstrom" } }