{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.901738 0.25 ] [ 0 0.098262 0.75 ] [ 0.5 0.401738 0.25 ] [ 0.5 0.598262 0.75 ] [ 0.5 0.79536 0.75 ] [ 0.5 0.20464 0.25 ] [ 0 0.29536 0.75 ] [ 0 0.70464 0.25 ] [ 0.5 0.034357 0.25 ] [ 0.5 0.965643 0.75 ] [ 0 0.534357 0.25 ] [ 0 0.465643 0.75 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.30145255 "source-unit" "angstrom" } "b" { "source-value" 13.36629837 "source-unit" "angstrom" } "c" { "source-value" 3.07882645 "source-unit" "angstrom" } }