{ "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" [ [ 0.75 0.805808 0.59975 ] [ 0.75 0.301603 0.095343 ] [ 0.75 0.198397 0.595343 ] [ 0.25 0.305808 0.90025 ] [ 0.25 0.801603 0.404657 ] [ 0.25 0.698397 0.904657 ] [ 0.25 0.194192 0.40025 ] [ 0.75 0.694192 0.09975 ] [ 0.25 0.493493 0.596001 ] [ 0.25 0.006507 0.096001 ] [ 0.75 0.506507 0.403999 ] [ 0.75 0.993493 0.903999 ] [ 0.75 0.509548 0.801475 ] [ 0.25 0.009548 0.698525 ] [ 0.25 0.490452 0.198525 ] [ 0.75 0.990452 0.301475 ] [ 0.499313 0.32707 0.496719 ] [ 0.500687 0.67293 0.503281 ] [ 0.000687 0.32707 0.496719 ] [ 0.007546 0.001988 0.625069 ] [ 0.992454 0.501988 0.874931 ] [ 0.25 0.858452 0.778258 ] [ 0.75 0.819803 0.24025 ] [ 0.75 0.141548 0.221742 ] [ 0.25 0.319803 0.25975 ] [ 0.25 0.641548 0.278258 ] [ 0.492454 0.498012 0.125069 ] [ 0.999313 0.82707 0.003281 ] [ 0.999313 0.67293 0.503281 ] [ 0.007546 0.498012 0.125069 ] [ 0.000687 0.17293 0.996719 ] [ 0.507546 0.998012 0.374931 ] [ 0.25 0.180197 0.75975 ] [ 0.75 0.680197 0.74025 ] [ 0.499313 0.17293 0.996719 ] [ 0.492454 0.001988 0.625069 ] [ 0.992454 0.998012 0.374931 ] [ 0.75 0.358452 0.721742 ] [ 0.507546 0.501988 0.874931 ] [ 0.500687 0.82707 0.003281 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Bi" "Bi" "Bi" "Bi" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.33725904 "source-unit" "angstrom" } "b" { "source-value" 7.90216066 "source-unit" "angstrom" } "c" { "source-value" 12.11472287 "source-unit" "angstrom" } }