{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ic2m" } "basis-atom-coordinates" { "source-value" [ [ 0.030581 0.035461 0.75 ] [ 0.969419 0.035461 0.25 ] [ 0.530581 0.535461 0.25 ] [ 0.469419 0.535461 0.75 ] [ 0 0.508518 0 ] [ 0.5 0.008518 0 ] [ 0.5 0.008518 0.5 ] [ 0 0.508518 0.5 ] [ 0.373996 0.944447 0.25 ] [ 0.626004 0.944447 0.75 ] [ 0.760589 0.762042 0.075686 ] [ 0.239411 0.762042 0.924314 ] [ 0.260589 0.262042 0.924314 ] [ 0.739411 0.262042 0.075686 ] [ 0.873996 0.444447 0.75 ] [ 0.126004 0.444447 0.25 ] [ 0.260589 0.262042 0.575686 ] [ 0.739411 0.262042 0.424314 ] [ 0.760589 0.762042 0.424314 ] [ 0.239411 0.762042 0.575686 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88793123 "source-unit" "angstrom" } "b" { "source-value" 7.00881486 "source-unit" "angstrom" } "c" { "source-value" 9.85798572 "source-unit" "angstrom" } }