{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.820377 0.707603 0.5 ] [ 0.820377 0.292397 0.5 ] [ 0.320377 0.207603 0.5 ] [ 0.320377 0.792397 0.5 ] [ 0.257669 0 0.817102 ] [ 0.000035 0.902304 0.693788 ] [ 0.000035 0.097696 0.693788 ] [ 0.74346 0 0.183458 ] [ 0.162917 0.169418 0 ] [ 0.000035 0.097696 0.306212 ] [ 0.838241 0.168898 0 ] [ 0.162917 0.830582 0 ] [ 0.000035 0.902304 0.306212 ] [ 0.257669 0 0.182898 ] [ 0.838241 0.831102 0 ] [ 0.74346 0 0.816542 ] [ 0.757669 0.5 0.817102 ] [ 0.500035 0.402304 0.693788 ] [ 0.500035 0.597696 0.693788 ] [ 0.24346 0.5 0.183458 ] [ 0.662917 0.669418 0 ] [ 0.500035 0.597696 0.306212 ] [ 0.338241 0.668898 0 ] [ 0.662917 0.330582 0 ] [ 0.500035 0.402304 0.306212 ] [ 0.757669 0.5 0.182898 ] [ 0.338241 0.331102 0 ] [ 0.24346 0.5 0.816542 ] [ 0.501968 0 0.646512 ] [ 0.501968 0 0.353488 ] [ 0.001968 0.5 0.646512 ] [ 0.001968 0.5 0.353488 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65162291983 "source-unit" "angstrom" } "b" { "source-value" 9.01494287714 "source-unit" "angstrom" } "c" { "source-value" 4.70463492 "source-unit" "angstrom" } }