{ "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" [ [ 0.375097 0.991999 0.262592 ] [ 0.640468 0.728828 0.010595 ] [ 0.140468 0.771172 0.510595 ] [ 0.875097 0.508001 0.762592 ] [ 0.859532 0.228828 0.489405 ] [ 0.359532 0.271172 0.989405 ] [ 0.624903 0.008001 0.737408 ] [ 0.124903 0.491999 0.237408 ] [ 0.129321 0.03237 0.779823 ] [ 0.870679 0.96763 0.220177 ] [ 0.629321 0.46763 0.279823 ] [ 0.370679 0.53237 0.720177 ] [ 0.644039 0.723978 0.459821 ] [ 0.355961 0.276022 0.540179 ] [ 0.144039 0.776022 0.959821 ] [ 0.855961 0.223978 0.040179 ] [ 0.516541 0.724794 0.656564 ] [ 0.758353 0.922136 0.437691 ] [ 0.258353 0.577864 0.937691 ] [ 0.161627 0.431541 0.550963 ] [ 0.483459 0.275206 0.343436 ] [ 0.838373 0.568459 0.449037 ] [ 0.460057 0.683323 0.292404 ] [ 0.741647 0.422136 0.062309 ] [ 0.661627 0.068459 0.050963 ] [ 0.016541 0.775206 0.156564 ] [ 0.983459 0.224794 0.843436 ] [ 0.039943 0.183323 0.207596 ] [ 0.241647 0.077864 0.562309 ] [ 0.960057 0.816677 0.792404 ] [ 0.539943 0.316677 0.707596 ] [ 0.338373 0.931541 0.949037 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "Sb" "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" 8.38154325366 "source-unit" "angstrom" } "b" { "source-value" 10.99247265 "source-unit" "angstrom" } "c" { "source-value" 10.6366590921 "source-unit" "angstrom" } "beta" { "source-value" 91.4657452979 "source-unit" "degree" } }