{ "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" [ [ 0.656439 0.731439 0.56165 ] [ 0.843561 0.231439 0.93835 ] [ 0.620633 0.620356 0.984862 ] [ 0.3621 0.062269 0.030886 ] [ 0.566051 0.716231 0.386636 ] [ 0.482969 0.043821 0.209572 ] [ 0.9444 0.604641 0.624039 ] [ 0.5556 0.104641 0.875961 ] [ 0.879367 0.120356 0.515138 ] [ 0.120633 0.879644 0.484862 ] [ 0.481134 0.465321 0.718277 ] [ 0.6379 0.937731 0.969114 ] [ 0.018866 0.965321 0.781723 ] [ 0.518866 0.534679 0.281723 ] [ 0.1379 0.562269 0.469114 ] [ 0.8621 0.437731 0.530886 ] [ 0.982969 0.456179 0.709572 ] [ 0.937645 0.309527 0.630462 ] [ 0.517031 0.956179 0.790428 ] [ 0.562355 0.809527 0.869538 ] [ 0.437645 0.190473 0.130462 ] [ 0.062355 0.690473 0.369538 ] [ 0.156439 0.768561 0.06165 ] [ 0.017031 0.543821 0.290428 ] [ 0.343561 0.268561 0.43835 ] [ 0.0556 0.395359 0.375961 ] [ 0.981134 0.034679 0.218277 ] [ 0.433949 0.283769 0.613364 ] [ 0.066051 0.783769 0.886636 ] [ 0.379367 0.379644 0.015138 ] [ 0.4444 0.895359 0.124039 ] [ 0.933949 0.216231 0.113364 ] [ 0.281779 0.839782 0.308173 ] [ 0.89721 0.069595 0.04699 ] [ 0.730187 0.677519 0.208692 ] [ 0.10279 0.930405 0.95301 ] [ 0.774108 0.838646 0.30647 ] [ 0.274108 0.661354 0.80647 ] [ 0.60279 0.569595 0.45301 ] [ 0.179539 0.500231 0.122819 ] [ 0.072144 0.094935 0.868927 ] [ 0.356659 0.23302 0.959621 ] [ 0.225892 0.161354 0.69353 ] [ 0.856659 0.26698 0.459621 ] [ 0.269813 0.322481 0.791308 ] [ 0.186947 0.99984 0.611298 ] [ 0.820461 0.499769 0.877181 ] [ 0.718221 0.160218 0.691827 ] [ 0.679539 0.999769 0.622819 ] [ 0.39721 0.430405 0.54699 ] [ 0.643341 0.76698 0.040379 ] [ 0.320461 0.000231 0.377181 ] [ 0.218221 0.339782 0.191827 ] [ 0.226728 0.674965 0.204942 ] [ 0.725892 0.338646 0.19353 ] [ 0.686947 0.50016 0.111298 ] [ 0.881801 0.365024 0.014025 ] [ 0.427856 0.594935 0.631073 ] [ 0.230187 0.822481 0.708692 ] [ 0.769813 0.177519 0.291308 ] [ 0.618199 0.865024 0.485975 ] [ 0.118199 0.634976 0.985975 ] [ 0.781779 0.660218 0.808173 ] [ 0.273272 0.174965 0.295058 ] [ 0.726728 0.825035 0.704942 ] [ 0.773272 0.325035 0.795058 ] [ 0.927856 0.905065 0.131073 ] [ 0.813053 0.00016 0.388702 ] [ 0.313053 0.49984 0.888702 ] [ 0.143341 0.73302 0.540379 ] [ 0.572144 0.405065 0.368927 ] [ 0.381801 0.134976 0.514025 ] [ 0.555508 0.914643 0.36806 ] [ 0.141479 0.444321 0.985927 ] [ 0.370406 0.633917 0.511062 ] [ 0.972501 0.911841 0.685594 ] [ 0.064848 0.908314 0.37385 ] [ 0.483428 0.251181 0.721736 ] [ 0.757323 0.973251 0.245263 ] [ 0.689364 0.280224 0.080871 ] [ 0.472501 0.588159 0.185594 ] [ 0.286459 0.328564 0.343813 ] [ 0.734472 0.375002 0.667272 ] [ 0.267601 0.472862 0.251617 ] [ 0.601806 0.439407 0.988722 ] [ 0.435152 0.408314 0.12615 ] [ 0.987978 0.249471 0.72321 ] [ 0.732399 0.527138 0.748383 ] [ 0.016572 0.751181 0.778264 ] [ 0.44702 0.793209 0.597821 ] [ 0.185093 0.375255 0.673082 ] [ 0.012022 0.750529 0.27679 ] [ 0.742677 0.473251 0.254737 ] [ 0.810636 0.780224 0.419129 ] [ 0.232399 0.972862 0.248383 ] [ 0.171642 0.987164 0.064993 ] [ 0.641479 0.055679 0.485927 ] [ 0.786459 0.171436 0.843813 ] [ 0.813886 0.327274 0.345654 ] [ 0.314907 0.875255 0.826918 ] [ 0.310636 0.719776 0.919129 ] [ 0.851691 0.480945 0.428628 ] [ 0.935152 0.091686 0.62615 ] [ 0.713541 0.671436 0.656187 ] [ 0.213541 0.828564 0.156187 ] [ 0.605992 0.295383 0.905674 ] [ 0.186114 0.672726 0.654346 ] [ 0.969773 0.5843 0.186573 ] [ 0.444492 0.085357 0.63194 ] [ 0.527499 0.411841 0.814406 ] [ 0.648309 0.980945 0.071372 ] [ 0.234472 0.124998 0.167272 ] [ 0.512022 0.749471 0.77679 ] [ 0.55298 0.206791 0.402179 ] [ 0.530227 0.0843 0.313427 ] [ 0.156331 0.276602 0.083217 ] [ 0.870406 0.866083 0.011062 ] [ 0.944492 0.414643 0.13194 ] [ 0.898194 0.939407 0.511278 ] [ 0.656331 0.223398 0.583217 ] [ 0.843669 0.723398 0.916783 ] [ 0.983428 0.248819 0.221736 ] [ 0.129594 0.133917 0.988938 ] [ 0.05298 0.293209 0.902179 ] [ 0.469773 0.9157 0.686573 ] [ 0.389407 0.860577 0.017837 ] [ 0.828358 0.012836 0.935007 ] [ 0.242677 0.026749 0.754737 ] [ 0.189364 0.219776 0.580871 ] [ 0.030227 0.4157 0.813427 ] [ 0.148309 0.519055 0.571372 ] [ 0.629594 0.366083 0.488938 ] [ 0.328358 0.487164 0.435007 ] [ 0.110593 0.360577 0.482163 ] [ 0.265528 0.624998 0.332728 ] [ 0.671642 0.512836 0.564993 ] [ 0.487978 0.250529 0.22321 ] [ 0.343669 0.776602 0.416783 ] [ 0.765528 0.875002 0.832728 ] [ 0.858521 0.555679 0.014073 ] [ 0.686114 0.827274 0.154346 ] [ 0.398194 0.560593 0.011278 ] [ 0.351691 0.019055 0.928628 ] [ 0.313886 0.172726 0.845654 ] [ 0.889407 0.639423 0.517837 ] [ 0.94702 0.706791 0.097821 ] [ 0.105992 0.204617 0.405674 ] [ 0.257323 0.526749 0.745263 ] [ 0.814907 0.624745 0.326918 ] [ 0.358521 0.944321 0.514073 ] [ 0.767601 0.027138 0.751617 ] [ 0.394008 0.704617 0.094326 ] [ 0.894008 0.795383 0.594326 ] [ 0.055508 0.585357 0.86806 ] [ 0.027499 0.088159 0.314406 ] [ 0.685093 0.124745 0.173082 ] [ 0.101806 0.060593 0.488722 ] [ 0.516572 0.748819 0.278264 ] [ 0.564848 0.591686 0.87385 ] [ 0.610593 0.139423 0.982163 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 8.16189803069 "source-unit" "angstrom" } "b" { "source-value" 23.85082396 "source-unit" "angstrom" } "c" { "source-value" 22.0770854794 "source-unit" "angstrom" } "beta" { "source-value" 100.440595116 "source-unit" "degree" } }