{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0.126004 0.75 0.375 ] [ 0.75 0.873996 0.625 ] [ 0.373996 0.75 0.875 ] [ 0.25 0.126004 0.625 ] [ 0.626004 0.25 0.875 ] [ 0.25 0.373996 0.125 ] [ 0.873996 0.25 0.375 ] [ 0.75 0.626004 0.125 ] [ 0.424559 0.672602 0.189745 ] [ 0.672602 0.924559 0.939745 ] [ 0.327398 0.075441 0.939745 ] [ 0.827398 0.924559 0.310255 ] [ 0.424559 0.827398 0.560255 ] [ 0.075441 0.827398 0.689745 ] [ 0.672602 0.575441 0.810255 ] [ 0.575441 0.172602 0.560255 ] [ 0.924559 0.172602 0.689745 ] [ 0.172602 0.424559 0.439745 ] [ 0.827398 0.575441 0.439745 ] [ 0.327398 0.424559 0.810255 ] [ 0.924559 0.327398 0.060255 ] [ 0.575441 0.327398 0.189745 ] [ 0.172602 0.075441 0.310255 ] [ 0.075441 0.672602 0.060255 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "S" "S" "S" "S" "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" 8.6340573709 "source-unit" "angstrom" } "c" { "source-value" 8.61289437093 "source-unit" "angstrom" } }