{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.496649 0.003274 0.163491 ] [ 0.996649 0.996726 0.836509 ] [ 0.503351 0.503274 0.336509 ] [ 0.003351 0.496726 0.663491 ] [ 0.503351 0.996726 0.836509 ] [ 0.003351 0.003274 0.163491 ] [ 0.496649 0.496726 0.663491 ] [ 0.996649 0.503274 0.336509 ] [ 0.25 0.594506 0.121216 ] [ 0.75 0.405494 0.878784 ] [ 0.75 0.094506 0.378784 ] [ 0.25 0.905494 0.621216 ] [ 0.25 0.292313 0.014029 ] [ 0.75 0.707687 0.985971 ] [ 0.75 0.792313 0.485971 ] [ 0.25 0.207687 0.514029 ] [ 0.25 0.418371 0.493081 ] [ 0.75 0.581629 0.506919 ] [ 0.75 0.918371 0.006919 ] [ 0.25 0.081629 0.993081 ] [ 0.25 0.736082 0.226267 ] [ 0.75 0.263918 0.773733 ] [ 0.75 0.236082 0.273733 ] [ 0.25 0.763918 0.726267 ] [ 0.25 0.378299 0.14708 ] [ 0.75 0.621701 0.85292 ] [ 0.75 0.878299 0.35292 ] [ 0.25 0.121701 0.64708 ] [ 0.25 0.434442 0.905358 ] [ 0.75 0.565558 0.094642 ] [ 0.75 0.934442 0.594642 ] [ 0.25 0.065558 0.405358 ] [ 0.25 0.654921 0.984011 ] [ 0.75 0.345079 0.015989 ] [ 0.75 0.154921 0.515989 ] [ 0.25 0.845079 0.484011 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.63228058 "source-unit" "angstrom" } "b" { "source-value" 8.35157028 "source-unit" "angstrom" } "c" { "source-value" 12.66051259 "source-unit" "angstrom" } }