{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239991 0.75 0.079152 ] [ 0.743504 0.993642 0.258547 ] [ 0.743504 0.506358 0.258547 ] [ 0.256496 0.493642 0.741453 ] [ 0.256496 0.006358 0.741453 ] [ 0.760009 0.25 0.920848 ] [ 0.21043 0.25 0.333192 ] [ 0.78957 0.75 0.666808 ] [ 0.290004 0.75 0.428313 ] [ 0.709996 0.25 0.571687 ] [ 0.265956 0.25 0.066033 ] [ 0.734044 0.75 0.933967 ] [ 0.698448 0.75 0.081019 ] [ 0.030292 0.25 0.134583 ] [ 0.462349 0.25 0.176015 ] [ 0.224135 0.950412 0.320143 ] [ 0.224135 0.549588 0.320143 ] [ 0.592655 0.75 0.474759 ] [ 0.886281 0.25 0.424501 ] [ 0.113719 0.75 0.575499 ] [ 0.407345 0.25 0.525241 ] [ 0.775865 0.450412 0.679857 ] [ 0.775865 0.049588 0.679857 ] [ 0.537651 0.75 0.823985 ] [ 0.969708 0.75 0.865417 ] [ 0.301552 0.25 0.918981 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Si" "Si" "B" "B" "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" 5.2815458 "source-unit" "angstrom" } "b" { "source-value" 6.47330958 "source-unit" "angstrom" } "c" { "source-value" 8.97760469 "source-unit" "angstrom" } "beta" { "source-value" 91.42349729 "source-unit" "degree" } }