{ "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" [ [ 0.245282 0.479057 0.242719 ] [ 0.245282 0.020943 0.242719 ] [ 0.754718 0.520943 0.757281 ] [ 0.754718 0.979057 0.757281 ] [ 0.77043 0.75 0.354363 ] [ 0.22957 0.25 0.645637 ] [ 0.715266 0.25 0.43198 ] [ 0.284734 0.75 0.56802 ] [ 0.729301 0.75 0.09782 ] [ 0.270699 0.25 0.90218 ] [ 0.287712 0.25 0.030357 ] [ 0.934275 0.75 0.167466 ] [ 0.546239 0.75 0.181158 ] [ 0.755052 0.060351 0.342947 ] [ 0.755052 0.439649 0.342947 ] [ 0.109089 0.75 0.442584 ] [ 0.451652 0.25 0.479258 ] [ 0.548348 0.75 0.520742 ] [ 0.890911 0.25 0.557416 ] [ 0.244948 0.560351 0.657053 ] [ 0.244948 0.939649 0.657053 ] [ 0.453761 0.25 0.818842 ] [ 0.065725 0.25 0.832534 ] [ 0.712288 0.75 0.969643 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "V" "V" "P" "P" "C" "C" "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" 5.6290444 "source-unit" "angstrom" } "b" { "source-value" 6.71282125 "source-unit" "angstrom" } "c" { "source-value" 9.72771957 "source-unit" "angstrom" } "beta" { "source-value" 91.09468778 "source-unit" "degree" } }