{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.3628 0.648589 ] [ 0 0.6372 0.351411 ] [ 0 0.8628 0.851411 ] [ 0 0.1372 0.148589 ] [ 0.5 0.986238 0.311016 ] [ 0.5 0.013762 0.688984 ] [ 0.5 0.513762 0.811016 ] [ 0.5 0.486238 0.188984 ] [ 0.5 0.356045 0.464506 ] [ 0.5 0.643955 0.535494 ] [ 0.5 0.856045 0.035494 ] [ 0.5 0.143955 0.964506 ] [ 0.5 0.296311 0.309244 ] [ 0.5 0.703689 0.690756 ] [ 0.5 0.203689 0.809244 ] [ 0.5 0.796311 0.190756 ] [ 0.5 0.392608 0.044553 ] [ 0.5 0.607392 0.955447 ] [ 0.5 0.892608 0.455447 ] [ 0.5 0.107392 0.544553 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.45124743 "source-unit" "angstrom" } "b" { "source-value" 5.28401525 "source-unit" "angstrom" } "c" { "source-value" 10.20318603 "source-unit" "angstrom" } }