{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.27539 0 0.518911 ] [ 0.72461 0.5 0.018911 ] [ 0.844895 0.200121 0.842896 ] [ 0.155105 0.299879 0.342896 ] [ 0.155105 0.700121 0.342896 ] [ 0.844895 0.799879 0.842896 ] [ 0.464151 0.198091 0.731673 ] [ 0.535849 0.301909 0.231673 ] [ 0.535849 0.698091 0.231673 ] [ 0.464151 0.801909 0.731673 ] [ 0.897907 0.208399 0.136417 ] [ 0.102093 0.291601 0.636417 ] [ 0.102093 0.708399 0.636417 ] [ 0.897907 0.791601 0.136417 ] [ 0.617779 0.5 0.457337 ] [ 0.382221 0 0.957337 ] [ 0.750446 0 0.481007 ] [ 0.249554 0.5 0.981007 ] [ 0.750012 0.751363 0.600958 ] [ 0.249988 0.748637 0.100958 ] [ 0.490628 0.5 0.849668 ] [ 0.509372 0 0.349668 ] [ 0.004528 0.5 0.849404 ] [ 0.995472 0 0.349404 ] [ 0.81045 0.5 0.253349 ] [ 0.18955 0 0.753349 ] [ 0.283873 0.5 0.502637 ] [ 0.716127 0 0.002637 ] [ 0.750012 0.248637 0.600958 ] [ 0.249988 0.251363 0.100958 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ge" "Ge" "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" 7.84894306 "source-unit" "angstrom" } "b" { "source-value" 8.04497607 "source-unit" "angstrom" } "c" { "source-value" 11.02933648 "source-unit" "angstrom" } }