{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.101316 0.910638 0.51172 ] [ 0.101316 0.089362 0.01172 ] [ 0.583015 0.243857 0.97842 ] [ 0.583015 0.756143 0.47842 ] [ 0.599265 0.078457 0.510984 ] [ 0.599265 0.921543 0.010984 ] [ 0.601316 0.410638 0.51172 ] [ 0.601316 0.589362 0.01172 ] [ 0.083015 0.743857 0.97842 ] [ 0.083015 0.256143 0.47842 ] [ 0.099265 0.578457 0.510984 ] [ 0.099265 0.421543 0.010984 ] [ 0.351271 0.809089 0.765628 ] [ 0.351271 0.190911 0.265628 ] [ 0.862449 0.025265 0.285273 ] [ 0.862449 0.974735 0.785273 ] [ 0.943297 0.862621 0.66382 ] [ 0.943297 0.137379 0.16382 ] [ 0.947311 0.199115 0.6602 ] [ 0.947311 0.800885 0.1602 ] [ 0.326805 0.859246 0.22065 ] [ 0.326805 0.140754 0.72065 ] [ 0.45413 0.96932 0.180384 ] [ 0.45413 0.03068 0.680384 ] [ 0.246882 0.971704 0.346295 ] [ 0.246882 0.028296 0.846295 ] [ 0.736952 0.194964 0.820569 ] [ 0.736952 0.805036 0.320569 ] [ 0.737393 0.136391 0.329947 ] [ 0.737393 0.863609 0.829947 ] [ 0.851271 0.309089 0.765628 ] [ 0.851271 0.690911 0.265628 ] [ 0.362449 0.525265 0.285273 ] [ 0.362449 0.474735 0.785273 ] [ 0.443297 0.362621 0.66382 ] [ 0.443297 0.637379 0.16382 ] [ 0.447311 0.699115 0.6602 ] [ 0.447311 0.300885 0.1602 ] [ 0.826805 0.359246 0.22065 ] [ 0.826805 0.640754 0.72065 ] [ 0.95413 0.46932 0.180384 ] [ 0.95413 0.53068 0.680384 ] [ 0.746882 0.471704 0.346295 ] [ 0.746882 0.528296 0.846295 ] [ 0.236952 0.694964 0.820569 ] [ 0.236952 0.305036 0.320569 ] [ 0.237393 0.636391 0.329947 ] [ 0.237393 0.363609 0.829947 ] [ 0.745655 0.995118 0.138806 ] [ 0.745655 0.004882 0.638806 ] [ 0.04473 0.20987 0.638041 ] [ 0.04473 0.79013 0.138041 ] [ 0.968529 0.145091 0.781103 ] [ 0.968529 0.854909 0.281103 ] [ 0.81804 0.144855 0.976814 ] [ 0.81804 0.855145 0.476814 ] [ 0.923277 0.935013 0.712086 ] [ 0.923277 0.064987 0.212086 ] [ 0.630701 0.216809 0.814941 ] [ 0.630701 0.783191 0.314941 ] [ 0.048053 0.865813 0.655249 ] [ 0.048053 0.134187 0.155249 ] [ 0.426833 0.769519 0.71612 ] [ 0.426833 0.230481 0.21612 ] [ 0.817078 0.19001 0.479257 ] [ 0.817078 0.80999 0.979257 ] [ 0.95051 0.810761 0.780022 ] [ 0.95051 0.189239 0.280022 ] [ 0.434706 0.861288 0.891046 ] [ 0.434706 0.138712 0.391046 ] [ 0.231647 0.830013 0.603654 ] [ 0.231647 0.169987 0.103654 ] [ 0.353718 0.087819 0.622989 ] [ 0.353718 0.912181 0.122989 ] [ 0.378272 0.02197 0.027534 ] [ 0.378272 0.97803 0.527534 ] [ 0.234129 0.187619 0.585562 ] [ 0.234129 0.812381 0.085562 ] [ 0.485914 0.999955 0.841707 ] [ 0.485914 0.000045 0.341707 ] [ 0.261315 0.098537 0.782852 ] [ 0.261315 0.901463 0.282852 ] [ 0.558873 0.056064 0.685967 ] [ 0.558873 0.943936 0.185967 ] [ 0.228954 0.972991 0.730505 ] [ 0.228954 0.027009 0.230505 ] [ 0.151212 0.037149 0.87265 ] [ 0.151212 0.962851 0.37265 ] [ 0.32964 0.244305 0.368637 ] [ 0.32964 0.755695 0.868637 ] [ 0.707658 0.83799 0.162466 ] [ 0.707658 0.16201 0.662466 ] [ 0.838738 0.91889 0.880213 ] [ 0.838738 0.08111 0.380213 ] [ 0.443436 0.167831 0.875297 ] [ 0.443436 0.832169 0.375297 ] [ 0.958543 0.018475 0.926923 ] [ 0.958543 0.981525 0.426923 ] [ 0.642365 0.893033 0.841487 ] [ 0.642365 0.106967 0.341487 ] [ 0.69435 0.831981 0.664431 ] [ 0.69435 0.168019 0.164431 ] [ 0.245655 0.495118 0.138806 ] [ 0.245655 0.504882 0.638806 ] [ 0.54473 0.70987 0.638041 ] [ 0.54473 0.29013 0.138041 ] [ 0.468529 0.645091 0.781103 ] [ 0.468529 0.354909 0.281103 ] [ 0.31804 0.644855 0.976814 ] [ 0.31804 0.355145 0.476814 ] [ 0.423277 0.435013 0.712086 ] [ 0.423277 0.564987 0.212086 ] [ 0.130701 0.716809 0.814941 ] [ 0.130701 0.283191 0.314941 ] [ 0.548053 0.365813 0.655249 ] [ 0.548053 0.634187 0.155249 ] [ 0.926833 0.269519 0.71612 ] [ 0.926833 0.730481 0.21612 ] [ 0.317078 0.69001 0.479257 ] [ 0.317078 0.30999 0.979257 ] [ 0.45051 0.310761 0.780022 ] [ 0.45051 0.689239 0.280022 ] [ 0.934706 0.361288 0.891046 ] [ 0.934706 0.638712 0.391046 ] [ 0.731647 0.330013 0.603654 ] [ 0.731647 0.669987 0.103654 ] [ 0.853718 0.587819 0.622989 ] [ 0.853718 0.412181 0.122989 ] [ 0.878272 0.52197 0.027534 ] [ 0.878272 0.47803 0.527534 ] [ 0.734129 0.687619 0.585562 ] [ 0.734129 0.312381 0.085562 ] [ 0.985914 0.499955 0.841707 ] [ 0.985914 0.500045 0.341707 ] [ 0.761315 0.598537 0.782852 ] [ 0.761315 0.401463 0.282852 ] [ 0.058873 0.556064 0.685967 ] [ 0.058873 0.443936 0.185967 ] [ 0.728954 0.472991 0.730505 ] [ 0.728954 0.527009 0.230505 ] [ 0.651212 0.537149 0.87265 ] [ 0.651212 0.462851 0.37265 ] [ 0.82964 0.744305 0.368637 ] [ 0.82964 0.255695 0.868637 ] [ 0.207658 0.33799 0.162466 ] [ 0.207658 0.66201 0.662466 ] [ 0.338738 0.41889 0.880213 ] [ 0.338738 0.58111 0.380213 ] [ 0.943436 0.667831 0.875297 ] [ 0.943436 0.332169 0.375297 ] [ 0.458543 0.518475 0.926923 ] [ 0.458543 0.481525 0.426923 ] [ 0.142365 0.393033 0.841487 ] [ 0.142365 0.606967 0.341487 ] [ 0.19435 0.331981 0.664431 ] [ 0.19435 0.668019 0.164431 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" "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" 13.7894039922 "source-unit" "angstrom" } "b" { "source-value" 19.9598193974 "source-unit" "angstrom" } "c" { "source-value" 9.84902796313 "source-unit" "angstrom" } "beta" { "source-value" 127.040370845 "source-unit" "degree" } }