{ "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" [ [ 0.75 0.030935 0.318463 ] [ 0.25 0.969065 0.681537 ] [ 0.75 0.530935 0.181537 ] [ 0.25 0.469065 0.818463 ] [ 0.75 0.749293 0.878067 ] [ 0.25 0.250707 0.121933 ] [ 0.75 0.249293 0.621933 ] [ 0.25 0.750707 0.378067 ] [ 0.75 0.144003 0.936169 ] [ 0.25 0.855997 0.063831 ] [ 0.75 0.644003 0.563831 ] [ 0.25 0.355997 0.436169 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "As" "As" "As" "As" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.85202565 "source-unit" "angstrom" } "b" { "source-value" 6.39165519 "source-unit" "angstrom" } "c" { "source-value" 7.46280453 "source-unit" "angstrom" } }