{ "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 0.63486 0.640665 ] [ 0.75 0.36514 0.359335 ] [ 0.25 0.13486 0.859335 ] [ 0.75 0.86514 0.140665 ] [ 0.25 0.616537 0.936841 ] [ 0.75 0.383463 0.063159 ] [ 0.25 0.116537 0.563159 ] [ 0.75 0.883463 0.436841 ] [ 0.75 0.96541 0.65984 ] [ 0.25 0.03459 0.34016 ] [ 0.75 0.46541 0.84016 ] [ 0.25 0.53459 0.15984 ] [ 0.75 0.799547 0.84814 ] [ 0.25 0.200453 0.15186 ] [ 0.75 0.299547 0.65186 ] [ 0.25 0.700453 0.34814 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Li" "Li" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66767529 "source-unit" "angstrom" } "b" { "source-value" 7.49322517 "source-unit" "angstrom" } "c" { "source-value" 11.95801979 "source-unit" "angstrom" } }