{ "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" [ [ 0.68992 0.192628 0.649725 ] [ 0.81008 0.692628 0.850275 ] [ 0.31008 0.807372 0.350275 ] [ 0.18992 0.307372 0.149725 ] [ 0.260291 0.123466 0.834608 ] [ 0.239709 0.623466 0.665392 ] [ 0.739709 0.876534 0.165392 ] [ 0.760291 0.376534 0.334608 ] [ 0.190649 0.188605 0.490576 ] [ 0.309351 0.688605 0.009424 ] [ 0.809351 0.811395 0.509424 ] [ 0.690649 0.311395 0.990576 ] [ 0.638426 0.015243 0.392181 ] [ 0.861574 0.515243 0.107819 ] [ 0.361574 0.984757 0.607819 ] [ 0.138426 0.484757 0.892181 ] [ 0.025594 0.101908 0.29477 ] [ 0.474406 0.601908 0.20523 ] [ 0.974406 0.898092 0.70523 ] [ 0.525594 0.398092 0.79477 ] [ 0.858894 0.117638 0.945412 ] [ 0.641106 0.617638 0.554588 ] [ 0.141106 0.882362 0.054588 ] [ 0.358894 0.382362 0.445412 ] [ 0.525413 0.192162 0.097987 ] [ 0.974587 0.692162 0.402013 ] [ 0.474587 0.807838 0.902013 ] [ 0.025413 0.307838 0.597987 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "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" 8.61714767279 "source-unit" "angstrom" } "b" { "source-value" 8.68419936 "source-unit" "angstrom" } "c" { "source-value" 11.8743178109 "source-unit" "angstrom" } "beta" { "source-value" 109.128744896 "source-unit" "degree" } }