{ "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" [ [ 0.25 0.756477 0.084675 ] [ 0.75 0.243523 0.915325 ] [ 0.25 0.256477 0.415325 ] [ 0.75 0.743523 0.584675 ] [ 0.25 0.920632 0.739319 ] [ 0.75 0.079368 0.260681 ] [ 0.25 0.420632 0.760681 ] [ 0.75 0.579368 0.239319 ] [ 0.75 0.591728 0.073299 ] [ 0.25 0.408272 0.926701 ] [ 0.75 0.091728 0.426701 ] [ 0.25 0.908272 0.573299 ] [ 0.517716 0.584152 0.323678 ] [ 0.017716 0.415848 0.676322 ] [ 0.982284 0.084152 0.176322 ] [ 0.482284 0.915848 0.823678 ] [ 0.482284 0.415848 0.676322 ] [ 0.982284 0.584152 0.323678 ] [ 0.017716 0.915848 0.823678 ] [ 0.517716 0.084152 0.176322 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "B" "B" "B" "B" "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" 5.14452417 "source-unit" "angstrom" } "b" { "source-value" 5.91933121 "source-unit" "angstrom" } "c" { "source-value" 8.29142694 "source-unit" "angstrom" } }