{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.07471 0.834877 ] [ 0.5 0.499573 0.168774 ] [ 0.5 0.574846 0 ] [ 0 0.998735 0 ] [ 0 0.07471 0.165123 ] [ 0.5 0.499573 0.831226 ] [ 0.5 0.57471 0.334877 ] [ 0 0.999573 0.668774 ] [ 0 0.074846 0.5 ] [ 0.5 0.498735 0.5 ] [ 0.5 0.57471 0.665123 ] [ 0 0.999573 0.331226 ] [ 0 0.702145 0.768038 ] [ 0 0.371959 0.927537 ] [ 0 0.702145 0.231962 ] [ 0.5 0.870926 0.103083 ] [ 0 0.371959 0.072463 ] [ 0.5 0.870926 0.896917 ] [ 0.5 0.202145 0.268038 ] [ 0.5 0.871959 0.427537 ] [ 0.5 0.202145 0.731962 ] [ 0 0.370926 0.603083 ] [ 0.5 0.871959 0.572463 ] [ 0 0.370926 0.396917 ] [ 0.5 0.20137 0.93141 ] [ 0 0.700633 0.902522 ] [ 0.5 0.873893 0.76602 ] [ 0.5 0.873893 0.23398 ] [ 0.5 0.20137 0.06859 ] [ 0 0.700633 0.097478 ] [ 0 0.70137 0.43141 ] [ 0.5 0.200633 0.402522 ] [ 0 0.373893 0.26602 ] [ 0 0.373893 0.73398 ] [ 0 0.70137 0.56859 ] [ 0.5 0.200633 0.597478 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61465273407 "source-unit" "angstrom" } "b" { "source-value" 7.96044862083 "source-unit" "angstrom" } "c" { "source-value" 22.017518759 "source-unit" "angstrom" } }