{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.245984 0.076375 0.118127 ] [ 0.745984 0.923625 0.381873 ] [ 0.254016 0.576375 0.381873 ] [ 0.754016 0.423625 0.118127 ] [ 0.245984 0.576375 0.881873 ] [ 0.745984 0.423625 0.618127 ] [ 0.254016 0.076375 0.618127 ] [ 0.754016 0.923625 0.881873 ] [ 0.5 0.75 0.127238 ] [ 0 0.25 0.372762 ] [ 0.5 0.25 0.872762 ] [ 0 0.75 0.627238 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "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" 4.55693564 "source-unit" "angstrom" } "b" { "source-value" 5.04307549 "source-unit" "angstrom" } "c" { "source-value" 5.73379898 "source-unit" "angstrom" } }