{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.677418 0.979436 ] [ 0.75 0.822582 0.479436 ] [ 0.25 0.177418 0.520564 ] [ 0.75 0.322582 0.020564 ] [ 0.25 0.527577 0.338873 ] [ 0.75 0.472423 0.661127 ] [ 0.25 0.027577 0.161127 ] [ 0.75 0.972423 0.838873 ] [ 0.25 0.729315 0.672997 ] [ 0.75 0.270685 0.327003 ] [ 0.25 0.229315 0.827003 ] [ 0.75 0.770685 0.172997 ] [ 0.25 0.648212 0.566817 ] [ 0.75 0.351788 0.433183 ] [ 0.25 0.148212 0.933183 ] [ 0.75 0.183743 0.227862 ] [ 0.25 0.316257 0.727862 ] [ 0.75 0.683743 0.272138 ] [ 0.25 0.816257 0.772138 ] [ 0.75 0.851788 0.066817 ] [ 0.75 0.545588 0.89824 ] [ 0.75 0.045588 0.60176 ] [ 0.25 0.454412 0.10176 ] [ 0.25 0.954412 0.39824 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93708053 "source-unit" "angstrom" } "b" { "source-value" 9.93011586 "source-unit" "angstrom" } "c" { "source-value" 10.30454153 "source-unit" "angstrom" } }