{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.175809 0.706021 0.796924 ] [ 0.555432 0.439429 0.947334 ] [ 0.555432 0.560571 0.447334 ] [ 0.175809 0.293979 0.296924 ] [ 0.984997 0.352298 0.739223 ] [ 0.984997 0.647702 0.239223 ] [ 0.482314 0.870842 0.247942 ] [ 0.482314 0.129158 0.747942 ] [ 0.690562 0.184726 0.314348 ] [ 0.096374 0.944121 0.448238 ] [ 0.096374 0.055879 0.948238 ] [ 0.690562 0.815274 0.814348 ] [ 0.237303 0.505217 0.616734 ] [ 0.562412 0.669487 0.083259 ] [ 0.562412 0.330513 0.583259 ] [ 0.850545 0.209381 0.99598 ] [ 0.828375 0.567817 0.818447 ] [ 0.04517 0.15439 0.549696 ] [ 0.04517 0.84561 0.049696 ] [ 0.828375 0.432183 0.318447 ] [ 0.397316 0.923889 0.864224 ] [ 0.343391 0.751045 0.493652 ] [ 0.397316 0.076111 0.364224 ] [ 0.237303 0.494783 0.116734 ] [ 0.343391 0.248955 0.993652 ] [ 0.850545 0.790619 0.49598 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.51813031 "source-unit" "angstrom" } "b" { "source-value" 12.39180389 "source-unit" "angstrom" } "c" { "source-value" 7.85592794 "source-unit" "angstrom" } "beta" { "source-value" 108.88764013 "source-unit" "degree" } }