{ "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" [ [ 0.75 0.510868 0.188862 ] [ 0.25 0.489132 0.811138 ] [ 0.25 0.989132 0.688862 ] [ 0.75 0.010868 0.311138 ] [ 0.25 0.662579 0.407237 ] [ 0.75 0.337421 0.592763 ] [ 0.75 0.837421 0.907237 ] [ 0.25 0.162579 0.092763 ] [ 0.75 0.759266 0.583635 ] [ 0.25 0.740734 0.083635 ] [ 0.75 0.259266 0.916365 ] [ 0.25 0.240734 0.416365 ] [ 0.25 0.551881 0.088329 ] [ 0.75 0.448119 0.911671 ] [ 0.75 0.948119 0.588329 ] [ 0.25 0.051881 0.411671 ] [ 0.75 0.195191 0.052918 ] [ 0.75 0.695191 0.447082 ] [ 0.25 0.804809 0.947082 ] [ 0.25 0.304809 0.552918 ] [ 0.455752 0.308475 0.350514 ] [ 0.955753 0.691525 0.649486 ] [ 0.955753 0.191525 0.850514 ] [ 0.455752 0.808475 0.149486 ] [ 0.044248 0.308475 0.350514 ] [ 0.544247 0.691525 0.649486 ] [ 0.544247 0.191525 0.850514 ] [ 0.044248 0.808475 0.149486 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25059587 "source-unit" "angstrom" } "b" { "source-value" 8.28801443 "source-unit" "angstrom" } "c" { "source-value" 10.93715526 "source-unit" "angstrom" } }