{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.201014 0.998672 0.583438 ] [ 0.298986 0.998672 0.083438 ] [ 0.298986 0.501328 0.083438 ] [ 0.201014 0.501328 0.583438 ] [ 0.701014 0.498672 0.916562 ] [ 0.798986 0.498672 0.416562 ] [ 0.798986 0.001328 0.416562 ] [ 0.701014 0.001328 0.916562 ] [ 0.192493 0.25 0.824313 ] [ 0.307507 0.25 0.324313 ] [ 0.692493 0.75 0.675687 ] [ 0.807507 0.75 0.175687 ] [ 0.687456 0.25 0.668618 ] [ 0.812544 0.25 0.168618 ] [ 0.312544 0.75 0.331382 ] [ 0.187456 0.75 0.831382 ] [ 0.783022 0.037131 0.600097 ] [ 0.716978 0.037131 0.100097 ] [ 0.378091 0.25 0.67012 ] [ 0.700661 0.25 0.300629 ] [ 0.121909 0.25 0.17012 ] [ 0.799339 0.25 0.800629 ] [ 0.716978 0.462869 0.100097 ] [ 0.783022 0.462869 0.600097 ] [ 0.283022 0.537131 0.899903 ] [ 0.216978 0.537131 0.399903 ] [ 0.621909 0.75 0.32988 ] [ 0.878091 0.75 0.82988 ] [ 0.299339 0.75 0.699371 ] [ 0.200661 0.75 0.199371 ] [ 0.216978 0.962869 0.399903 ] [ 0.283022 0.962869 0.899903 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "O" "O" "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" 4.77538568 "source-unit" "angstrom" } "b" { "source-value" 5.79570173 "source-unit" "angstrom" } "c" { "source-value" 10.62062777 "source-unit" "angstrom" } }