{ "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" [ [ 0.280637 0.050659 0.845366 ] [ 0.280637 0.449341 0.345366 ] [ 0.719363 0.550659 0.654634 ] [ 0.719363 0.949341 0.154634 ] [ 0.197346 0.342648 0.602533 ] [ 0.197346 0.157352 0.102533 ] [ 0.802654 0.842648 0.897467 ] [ 0.802654 0.657352 0.397467 ] [ 0.957356 0.18457 0.682643 ] [ 0.957356 0.31543 0.182643 ] [ 0.029614 0.697731 0.580307 ] [ 0.029614 0.802269 0.080307 ] [ 0.48118 0.348884 0.768214 ] [ 0.475268 0.259656 0.526339 ] [ 0.48118 0.151116 0.268214 ] [ 0.524732 0.759656 0.973661 ] [ 0.475268 0.240344 0.026339 ] [ 0.51882 0.848884 0.731786 ] [ 0.524732 0.740344 0.473661 ] [ 0.51882 0.651116 0.231786 ] [ 0.970386 0.197731 0.919693 ] [ 0.970386 0.302269 0.419693 ] [ 0.042644 0.68457 0.817357 ] [ 0.042644 0.81543 0.317357 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.8065699 "source-unit" "angstrom" } "b" { "source-value" 8.23986226 "source-unit" "angstrom" } "c" { "source-value" 18.0391331 "source-unit" "angstrom" } "beta" { "source-value" 108.14572496 "source-unit" "degree" } }