{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.99095 0.50905 0.49095 ] [ 0.00905 0.99095 0.49095 ] [ 0.00905 0.00905 0.00905 ] [ 0.99095 0.49095 0.00905 ] [ 0.49095 0.00905 0.99095 ] [ 0.50905 0.49095 0.99095 ] [ 0.50905 0.50905 0.50905 ] [ 0.49095 0.99095 0.50905 ] [ 0.755811 0.255811 0.244189 ] [ 0.244189 0.244189 0.244189 ] [ 0.244189 0.755811 0.255811 ] [ 0.755811 0.744189 0.255811 ] [ 0.255811 0.755811 0.744189 ] [ 0.744189 0.744189 0.744189 ] [ 0.744189 0.255811 0.755811 ] [ 0.255811 0.244189 0.755811 ] [ 0 0.25 0.270727 ] [ 0.5 0.25 0.729273 ] [ 0.75 0.770727 0.5 ] [ 0.229273 0 0.75 ] [ 0.270727 0 0.25 ] [ 0.25 0.729273 0.5 ] [ 0.5 0.75 0.770727 ] [ 0 0.75 0.229273 ] [ 0.25 0.270727 0 ] [ 0.729273 0.5 0.25 ] [ 0.770727 0.5 0.75 ] [ 0.75 0.229273 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.51421536 "source-unit" "angstrom" } "c11" { "source-value" 41.35501628545851 "source-unit" "GPa" } "c12" { "source-value" 14.109758946593455 "source-unit" "GPa" } "c44" { "source-value" 16.262381902380955 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }