{ "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 0.346168 0.925947 ] [ 0.25 0.653832 0.074053 ] [ 0.75 0.846168 0.574053 ] [ 0.25 0.153832 0.425947 ] [ 0.25 0.019888 0.822417 ] [ 0.75 0.980112 0.177583 ] [ 0.25 0.519888 0.677583 ] [ 0.75 0.480112 0.322417 ] [ 0.25 0.752428 0.394406 ] [ 0.75 0.247572 0.605594 ] [ 0.25 0.252428 0.105594 ] [ 0.75 0.747572 0.894406 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.81988679 "source-unit" "angstrom" } "b" { "source-value" 7.61475257 "source-unit" "angstrom" } "c" { "source-value" 9.04721021 "source-unit" "angstrom" } }