{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.09716 0.916758 0.869506 ] [ 0.59716 0.083242 0.630494 ] [ 0.90284 0.416758 0.130494 ] [ 0.40284 0.583242 0.369506 ] [ 0.59716 0.416758 0.630494 ] [ 0.09716 0.583242 0.869506 ] [ 0.40284 0.916758 0.369506 ] [ 0.90284 0.083242 0.130494 ] [ 0.603655 0.75 0.060052 ] [ 0.103655 0.25 0.439948 ] [ 0.396345 0.25 0.939948 ] [ 0.896345 0.75 0.560052 ] [ 0.459927 0.25 0.755958 ] [ 0.791576 0.592853 0.011483 ] [ 0.708424 0.907147 0.511483 ] [ 0.208424 0.092853 0.988517 ] [ 0.959927 0.75 0.744042 ] [ 0.291576 0.407147 0.488517 ] [ 0.040073 0.25 0.255958 ] [ 0.540073 0.75 0.244042 ] [ 0.708424 0.592853 0.511483 ] [ 0.208424 0.407147 0.988517 ] [ 0.291576 0.092853 0.488517 ] [ 0.791576 0.907147 0.011483 ] [ 0.201263 0.75 0.467303 ] [ 0.701263 0.25 0.032697 ] [ 0.798737 0.25 0.532697 ] [ 0.298737 0.75 0.967303 ] [ 0.098667 0.944322 0.247605 ] [ 0.598667 0.055678 0.252395 ] [ 0.598667 0.444322 0.252395 ] [ 0.401333 0.555678 0.747605 ] [ 0.901333 0.055678 0.752395 ] [ 0.401333 0.944322 0.747605 ] [ 0.098667 0.555678 0.247605 ] [ 0.901333 0.444322 0.752395 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.70801455 "source-unit" "angstrom" } "b" { "source-value" 8.49746302 "source-unit" "angstrom" } "c" { "source-value" 8.8887918 "source-unit" "angstrom" } }