{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.25 0.126369 ] [ 0.5 0.25 0.373631 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.5 0.75 0.626369 ] [ 0 0.75 0.873631 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.766713 0.25 0.500877 ] [ 0.5 0.530415 0.255446 ] [ 0.733287 0.75 0.000877 ] [ 0 0.469585 0.755446 ] [ 0 0.530415 0.244554 ] [ 0 0.969585 0.244554 ] [ 0.266713 0.25 0.999123 ] [ 0.733287 0.25 0.999123 ] [ 0.266713 0.75 0.000877 ] [ 0 0.030415 0.755446 ] [ 0.233287 0.25 0.500877 ] [ 0.5 0.969585 0.255446 ] [ 0.5 0.030415 0.744554 ] [ 0.5 0.469585 0.744554 ] [ 0.766713 0.75 0.499123 ] [ 0.233287 0.75 0.499123 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 6.01007634089 "source-unit" "angstrom" } "b" { "source-value" 6.24145002307 "source-unit" "angstrom" } "c" { "source-value" 8.12627229458 "source-unit" "angstrom" } }