{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.160143 0.480186 ] [ 0.75 0.339857 0.980186 ] [ 0.25 0.660143 0.019814 ] [ 0.25 0.839857 0.519814 ] [ 0.25 0.38454 0.789253 ] [ 0.75 0.61546 0.210747 ] [ 0.75 0.88454 0.710747 ] [ 0.25 0.11546 0.289253 ] [ 0.050467 0.738228 0.06477 ] [ 0.449533 0.761772 0.56477 ] [ 0.949533 0.238228 0.43523 ] [ 0.550467 0.261772 0.93523 ] [ 0.050979 0.055754 0.198108 ] [ 0.550979 0.944246 0.801892 ] [ 0.949021 0.555754 0.301892 ] [ 0.449021 0.444246 0.698108 ] [ 0.949021 0.944246 0.801892 ] [ 0.449021 0.055754 0.198108 ] [ 0.050979 0.444246 0.698108 ] [ 0.550979 0.555754 0.301892 ] [ 0.25 0.273515 0.22985 ] [ 0.75 0.726485 0.77015 ] [ 0.75 0.773515 0.27015 ] [ 0.25 0.226485 0.72985 ] [ 0.75 0.15201 0.625863 ] [ 0.25 0.84799 0.374137 ] [ 0.25 0.65201 0.874137 ] [ 0.75 0.34799 0.125863 ] [ 0.75 0.018265 0.425151 ] [ 0.25 0.981735 0.574849 ] [ 0.25 0.518265 0.074849 ] [ 0.75 0.481735 0.925151 ] [ 0.550467 0.238228 0.43523 ] [ 0.050467 0.761772 0.56477 ] [ 0.449533 0.738228 0.06477 ] [ 0.949533 0.261772 0.93523 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "S" "S" "S" "S" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.81523185 "source-unit" "angstrom" } "b" { "source-value" 9.0892764 "source-unit" "angstrom" } "c" { "source-value" 9.76384108 "source-unit" "angstrom" } }