{ "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" [ [ 0.751014 0.074447 0.135606 ] [ 0.248986 0.574447 0.364394 ] [ 0.248986 0.925553 0.864394 ] [ 0.751014 0.425553 0.635606 ] [ 0.794885 0.937465 0.978587 ] [ 0.205115 0.437465 0.521413 ] [ 0.205115 0.062535 0.021413 ] [ 0.794885 0.562535 0.478587 ] [ 0.912774 0.427643 0.789699 ] [ 0.087226 0.927643 0.710301 ] [ 0.087226 0.572357 0.210301 ] [ 0.912774 0.072357 0.289699 ] [ 0.696654 0.146082 0.585927 ] [ 0.303346 0.646082 0.914073 ] [ 0.303346 0.853918 0.414073 ] [ 0.696654 0.353918 0.085927 ] [ 0.599014 0.566363 0.688239 ] [ 0.400986 0.066363 0.811761 ] [ 0.400986 0.433637 0.311761 ] [ 0.599014 0.933637 0.188239 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.61352904717 "source-unit" "angstrom" } "b" { "source-value" 5.04114828 "source-unit" "angstrom" } "c" { "source-value" 7.65803465286 "source-unit" "angstrom" } "beta" { "source-value" 103.680120373 "source-unit" "degree" } }