{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.403962 0.655217 0.215583 ] [ 0.096038 0.155217 0.284417 ] [ 0.596038 0.344783 0.784417 ] [ 0.903962 0.844783 0.715583 ] [ 0.888586 0.660495 0.197785 ] [ 0.611414 0.160495 0.302215 ] [ 0.111414 0.339505 0.802215 ] [ 0.388586 0.839505 0.697785 ] [ 0.789224 0.70956 0.377468 ] [ 0.710776 0.20956 0.122532 ] [ 0.210776 0.29044 0.622532 ] [ 0.289224 0.79044 0.877468 ] [ 0.688105 0.600179 0.029784 ] [ 0.811895 0.100179 0.470216 ] [ 0.311895 0.399821 0.970216 ] [ 0.188105 0.899821 0.529784 ] [ 0.564724 0.996986 0.749643 ] [ 0.935276 0.496986 0.750357 ] [ 0.435276 0.003014 0.250357 ] [ 0.064724 0.503014 0.249643 ] [ 0.499295 0.666403 0.617404 ] [ 0.000705 0.166403 0.882596 ] [ 0.500705 0.333597 0.382596 ] [ 0.999295 0.833597 0.117404 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "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" 6.40164888463 "source-unit" "angstrom" } "b" { "source-value" 6.9647652 "source-unit" "angstrom" } "c" { "source-value" 6.78709401133 "source-unit" "angstrom" } "beta" { "source-value" 104.109406986 "source-unit" "degree" } }