{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.497811 0.481917 0.680754 ] [ 0.502189 0.981917 0.319246 ] [ 0.003272 0.518068 0.815971 ] [ 0.996728 0.018068 0.184029 ] [ 0.822477 0.498948 0.40205 ] [ 0.177523 0.998948 0.59795 ] [ 0.67262 0.032327 0.92466 ] [ 0.32738 0.532327 0.07534 ] [ 0.691047 0.530993 0.065511 ] [ 0.188873 0.500732 0.401457 ] [ 0.308953 0.030993 0.934489 ] [ 0.811127 0.000732 0.598543 ] [ 0.325659 0.087453 0.750997 ] [ 0.674341 0.587453 0.249003 ] [ 0.776932 0.708144 0.566549 ] [ 0.223068 0.208144 0.433451 ] [ 0.788014 0.752558 0.982633 ] [ 0.211986 0.252558 0.017367 ] [ 0.678257 0.100877 0.715155 ] [ 0.321743 0.600877 0.284845 ] [ 0.205763 0.658297 0.561583 ] [ 0.794237 0.158297 0.438417 ] [ 0.786393 0.276239 0.034805 ] [ 0.213607 0.776239 0.965195 ] [ 0.019217 0.537829 0.317916 ] [ 0.980783 0.037829 0.682084 ] [ 0.479163 0.007316 0.019529 ] [ 0.520837 0.507316 0.980471 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Zn" "Zn" "Zn" "Zn" "As" "As" "As" "As" "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" 9.11082896346 "source-unit" "angstrom" } "b" { "source-value" 5.73520112 "source-unit" "angstrom" } "c" { "source-value" 9.17394859958 "source-unit" "angstrom" } "beta" { "source-value" 91.0561875522 "source-unit" "degree" } }