{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.018544 0.936423 0.75 ] [ 0.481456 0.436423 0.75 ] [ 0.518544 0.563577 0.25 ] [ 0.981456 0.063577 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.138515 0.435353 0.25 ] [ 0.183697 0.18696 0.928221 ] [ 0.183697 0.18696 0.571779 ] [ 0.316303 0.68696 0.928221 ] [ 0.316303 0.68696 0.571779 ] [ 0.361485 0.935353 0.25 ] [ 0.638515 0.064647 0.75 ] [ 0.683697 0.31304 0.428221 ] [ 0.683697 0.31304 0.071779 ] [ 0.816303 0.81304 0.428221 ] [ 0.816303 0.81304 0.071779 ] [ 0.861485 0.564647 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Sc" "Sc" "Sc" "Sc" "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" 5.37916221 "source-unit" "angstrom" } "b" { "source-value" 5.68960742 "source-unit" "angstrom" } "c" { "source-value" 7.94217846 "source-unit" "angstrom" } }