{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.056101 0.709937 0.172915 ] [ 0.943899 0.209937 0.327085 ] [ 0.943899 0.290063 0.827085 ] [ 0.056101 0.790063 0.672915 ] [ 0.369405 0.110572 0.306562 ] [ 0.630595 0.610572 0.193438 ] [ 0.630595 0.889428 0.693438 ] [ 0.369405 0.389428 0.806562 ] [ 0.323623 0.935349 0.965685 ] [ 0.676377 0.435349 0.534315 ] [ 0.676377 0.064651 0.034315 ] [ 0.323623 0.564651 0.465685 ] [ 0.205446 0.887431 0.373261 ] [ 0.794554 0.387431 0.126739 ] [ 0.794554 0.112569 0.626739 ] [ 0.205446 0.612569 0.873261 ] [ 0.097867 0.485421 0.999597 ] [ 0.902133 0.985421 0.500403 ] [ 0.902133 0.514579 0.000403 ] [ 0.097867 0.014579 0.499597 ] [ 0.230192 0.938593 0.116453 ] [ 0.769808 0.438593 0.383547 ] [ 0.769808 0.061407 0.883547 ] [ 0.230192 0.561407 0.616453 ] [ 0.184888 0.394316 0.301919 ] [ 0.815112 0.894316 0.198081 ] [ 0.815112 0.605684 0.698081 ] [ 0.184888 0.105684 0.801919 ] [ 0.471493 0.225719 0.04133 ] [ 0.528507 0.725719 0.45867 ] [ 0.528507 0.774281 0.95867 ] [ 0.471493 0.274281 0.54133 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 10.49796978 "source-unit" "angstrom" } "b" { "source-value" 7.12638557 "source-unit" "angstrom" } "c" { "source-value" 12.88191143 "source-unit" "angstrom" } "beta" { "source-value" 107.44058395 "source-unit" "degree" } }