{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.85484 0 0.144672 ] [ 0.145657 0.176649 0.225578 ] [ 0.854343 0.176649 0.774422 ] [ 0.145657 0.823351 0.225578 ] [ 0.854343 0.823351 0.774422 ] [ 0.14516 0 0.855328 ] [ 0.35484 0.5 0.144672 ] [ 0.645657 0.676649 0.225578 ] [ 0.354343 0.676649 0.774422 ] [ 0.645657 0.323351 0.225578 ] [ 0.354343 0.323351 0.774422 ] [ 0.64516 0.5 0.855328 ] [ 0 0.232598 0.5 ] [ 0.5 0 0 ] [ 0 0.767402 0.5 ] [ 0.5 0.732598 0.5 ] [ 0 0.5 0 ] [ 0.5 0.267402 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Br" "Br" "Br" "Br" "Br" "Br" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.38706127 "source-unit" "angstrom" } "b" { "source-value" 8.0833233 "source-unit" "angstrom" } "c" { "source-value" 6.81685358 "source-unit" "angstrom" } "beta" { "source-value" 124.06411843 "source-unit" "degree" } }