{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.047066 0.5 0.777089 ] [ 0.951969 0.5 0.242382 ] [ 0.547066 0 0.777089 ] [ 0.451969 0 0.242382 ] [ 0.127262 0 0.099408 ] [ 0.17073 0 0.427384 ] [ 0.236556 0 0.764405 ] [ 0.767961 0 0.231545 ] [ 0.839017 0 0.566169 ] [ 0.882378 0 0.922521 ] [ 0.627262 0.5 0.099408 ] [ 0.67073 0.5 0.427384 ] [ 0.736556 0.5 0.764405 ] [ 0.267961 0.5 0.231545 ] [ 0.339017 0.5 0.566169 ] [ 0.382378 0.5 0.922521 ] [ 0.237355 0 0.248082 ] [ 0.845234 0 0.097949 ] [ 0.737355 0.5 0.248082 ] [ 0.345234 0.5 0.097949 ] [ 0.067256 0 0.29102 ] [ 0.132595 0 0.617471 ] [ 0.167649 0 0.90649 ] [ 0.138817 0.5 0.103636 ] [ 0.200505 0.5 0.434576 ] [ 0.764296 0 0.757662 ] [ 0.803481 0.5 0.572481 ] [ 0.865605 0.5 0.878291 ] [ 0.876588 0 0.38863 ] [ 0.940675 0 0.693994 ] [ 0.005601 0 0.990655 ] [ 0.567256 0.5 0.29102 ] [ 0.632595 0.5 0.617471 ] [ 0.667649 0.5 0.90649 ] [ 0.638817 0 0.103636 ] [ 0.700505 0 0.434576 ] [ 0.264296 0.5 0.757662 ] [ 0.303481 0 0.572481 ] [ 0.365605 0 0.878291 ] [ 0.376588 0.5 0.38863 ] [ 0.440675 0.5 0.693994 ] [ 0.505601 0.5 0.990655 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 15.12480966 "source-unit" "angstrom" } "b" { "source-value" 3.85350246 "source-unit" "angstrom" } "c" { "source-value" 9.33634344 "source-unit" "angstrom" } "beta" { "source-value" 99.32471021 "source-unit" "degree" } }