{ "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" [ [ 0.871378 0.090329 0.364517 ] [ 0.128622 0.590329 0.135483 ] [ 0.128622 0.909671 0.635483 ] [ 0.871378 0.409671 0.864517 ] [ 0.158847 0.246777 0.128796 ] [ 0.841153 0.746777 0.371204 ] [ 0.841153 0.753223 0.871204 ] [ 0.158847 0.253223 0.628796 ] [ 0.623441 0.258695 0.039975 ] [ 0.376559 0.758695 0.460025 ] [ 0.376559 0.741305 0.960025 ] [ 0.623441 0.241305 0.539975 ] [ 0.351992 0.078345 0.346508 ] [ 0.648008 0.578345 0.153492 ] [ 0.648008 0.921655 0.653492 ] [ 0.351992 0.421655 0.846508 ] [ 0.821995 0.092026 0.825203 ] [ 0.178005 0.592026 0.674797 ] [ 0.178005 0.907974 0.174797 ] [ 0.821995 0.407974 0.325203 ] [ 0.398886 0.082087 0.914437 ] [ 0.601114 0.582087 0.585563 ] [ 0.601114 0.917913 0.085563 ] [ 0.398886 0.417913 0.414437 ] [ 0.801808 0.200864 0.984839 ] [ 0.198192 0.700864 0.515161 ] [ 0.198192 0.799136 0.015161 ] [ 0.801808 0.299136 0.484839 ] [ 0.55796 0.175585 0.350131 ] [ 0.44204 0.675585 0.149869 ] [ 0.44204 0.824415 0.649869 ] [ 0.55796 0.324415 0.850131 ] [ 0.202814 0.145752 0.40758 ] [ 0.797186 0.645752 0.09242 ] [ 0.797186 0.854248 0.59242 ] [ 0.202814 0.354248 0.90758 ] [ 0.562174 0.087429 0.737958 ] [ 0.437826 0.587429 0.762042 ] [ 0.163317 0.994361 0.327362 ] [ 0.437826 0.912571 0.262042 ] [ 0.871456 0.158828 0.66795 ] [ 0.128544 0.658828 0.83205 ] [ 0.128544 0.841172 0.33205 ] [ 0.871456 0.341172 0.16795 ] [ 0.259813 0.090447 0.099081 ] [ 0.740187 0.590447 0.400919 ] [ 0.740187 0.909553 0.900919 ] [ 0.259813 0.409553 0.599081 ] [ 0.612772 0.444728 0.582926 ] [ 0.387228 0.944728 0.917074 ] [ 0.387228 0.555272 0.417074 ] [ 0.612772 0.055272 0.082926 ] [ 0.41242 0.309184 0.421916 ] [ 0.58758 0.809184 0.078084 ] [ 0.58758 0.690816 0.578084 ] [ 0.41242 0.190816 0.921916 ] [ 0.163317 0.505639 0.827362 ] [ 0.836683 0.005639 0.672638 ] [ 0.836683 0.494361 0.172638 ] [ 0.562174 0.412571 0.237958 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.74437516134 "source-unit" "angstrom" } "b" { "source-value" 18.12541159 "source-unit" "angstrom" } "c" { "source-value" 8.18317255946 "source-unit" "angstrom" } "beta" { "source-value" 106.964963212 "source-unit" "degree" } }