{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.407749 0.568074 0.895847 ] [ 0.04071 0.386103 0.345748 ] [ 0.263068 0.82412 0.553031 ] [ 0.887364 0.906174 0.86534 ] [ 0.907749 0.931926 0.395847 ] [ 0.907749 0.431926 0.104153 ] [ 0.430034 0.761881 0.15914 ] [ 0.930034 0.238119 0.84086 ] [ 0.387364 0.093826 0.13466 ] [ 0.387364 0.593826 0.36534 ] [ 0.407749 0.068074 0.604153 ] [ 0.930034 0.738119 0.65914 ] [ 0.54071 0.113897 0.845748 ] [ 0.763068 0.17588 0.446969 ] [ 0.763068 0.67588 0.053031 ] [ 0.430034 0.261881 0.34086 ] [ 0.54071 0.613897 0.654252 ] [ 0.887364 0.406174 0.63466 ] [ 0.04071 0.886103 0.154252 ] [ 0.263068 0.32412 0.946969 ] [ 0.776029 0.567523 0.859877 ] [ 0.792626 0.141158 0.048959 ] [ 0.289827 0.312087 0.732417 ] [ 0.776029 0.067523 0.640123 ] [ 0.789827 0.687913 0.267583 ] [ 0.289827 0.812087 0.767583 ] [ 0.292626 0.358842 0.548959 ] [ 0.792626 0.641158 0.451041 ] [ 0.292626 0.858842 0.951041 ] [ 0.276029 0.432477 0.140123 ] [ 0.276029 0.932477 0.359877 ] [ 0.789827 0.187913 0.232417 ] [ 0.565889 0.325945 0.106806 ] [ 0.065889 0.174055 0.606806 ] [ 0.702587 0.359698 0.957831 ] [ 0.716899 0.428206 0.336266 ] [ 0.088042 0.115013 0.292926 ] [ 0.085022 0.052854 0.993779 ] [ 0.588042 0.384987 0.792926 ] [ 0.061942 0.980356 0.703941 ] [ 0.585022 0.947146 0.006221 ] [ 0.082115 0.214001 0.130965 ] [ 0.716899 0.928206 0.163734 ] [ 0.582115 0.285999 0.630965 ] [ 0.565889 0.825945 0.393194 ] [ 0.588042 0.884987 0.707074 ] [ 0.061942 0.480356 0.796059 ] [ 0.202587 0.640302 0.042169 ] [ 0.088042 0.615013 0.207074 ] [ 0.216899 0.571794 0.663734 ] [ 0.585022 0.447146 0.493779 ] [ 0.085022 0.552854 0.506221 ] [ 0.702587 0.859698 0.542169 ] [ 0.082115 0.714001 0.369035 ] [ 0.065889 0.674055 0.893194 ] [ 0.561942 0.019644 0.296059 ] [ 0.216899 0.071794 0.836266 ] [ 0.202587 0.140302 0.457831 ] [ 0.582115 0.785999 0.869035 ] [ 0.561942 0.519644 0.203941 ] [ 0.798096 0.836851 0.206723 ] [ 0.6678 0.383969 0.423493 ] [ 0.425833 0.777262 0.863141 ] [ 0.069479 0.162911 0.509837 ] [ 0.798096 0.336851 0.293277 ] [ 0.626102 0.888629 0.922819 ] [ 0.247249 0.017639 0.464679 ] [ 0.247249 0.517639 0.035321 ] [ 0.925833 0.722738 0.363141 ] [ 0.637179 0.131312 0.302659 ] [ 0.164652 0.6726 0.133293 ] [ 0.164652 0.1726 0.366707 ] [ 0.298096 0.163149 0.793277 ] [ 0.432758 0.43445 0.476486 ] [ 0.298096 0.663149 0.706723 ] [ 0.408986 0.038222 0.305797 ] [ 0.126102 0.111371 0.077181 ] [ 0.13052 0.492004 0.216725 ] [ 0.140718 0.688485 0.281141 ] [ 0.137179 0.368688 0.802659 ] [ 0.626286 0.439196 0.138604 ] [ 0.747249 0.982361 0.535321 ] [ 0.129045 0.93106 0.001661 ] [ 0.801619 0.53574 0.347601 ] [ 0.626102 0.388629 0.577181 ] [ 0.301619 0.46426 0.652399 ] [ 0.932758 0.56555 0.523514 ] [ 0.626286 0.939196 0.361396 ] [ 0.129045 0.43106 0.498339 ] [ 0.569479 0.837089 0.490163 ] [ 0.158314 0.771625 0.86611 ] [ 0.640718 0.811515 0.781141 ] [ 0.434996 0.872559 0.691656 ] [ 0.640718 0.311515 0.718859 ] [ 0.63052 0.507996 0.783275 ] [ 0.6678 0.883969 0.076507 ] [ 0.934996 0.127441 0.308344 ] [ 0.1678 0.616031 0.576507 ] [ 0.126102 0.611371 0.422819 ] [ 0.301619 0.96426 0.847601 ] [ 0.137179 0.868688 0.697341 ] [ 0.637179 0.631312 0.197341 ] [ 0.925833 0.222738 0.136859 ] [ 0.629045 0.06894 0.998339 ] [ 0.1678 0.116031 0.923493 ] [ 0.934996 0.627441 0.191656 ] [ 0.918615 0.689421 0.863799 ] [ 0.434996 0.372559 0.808344 ] [ 0.643793 0.680505 0.905318 ] [ 0.569479 0.337089 0.009837 ] [ 0.658314 0.728375 0.36611 ] [ 0.418615 0.810579 0.363799 ] [ 0.143793 0.819495 0.405318 ] [ 0.918615 0.189421 0.636201 ] [ 0.432758 0.93445 0.023514 ] [ 0.816895 0.781237 0.516083 ] [ 0.316895 0.718763 0.016083 ] [ 0.816895 0.281237 0.983917 ] [ 0.140718 0.188485 0.218859 ] [ 0.908986 0.961778 0.694203 ] [ 0.747249 0.482361 0.964679 ] [ 0.580971 0.459793 0.290475 ] [ 0.664652 0.3274 0.866707 ] [ 0.658314 0.228375 0.13389 ] [ 0.158314 0.271625 0.63389 ] [ 0.080971 0.540207 0.709525 ] [ 0.580971 0.959793 0.209525 ] [ 0.316895 0.218763 0.483917 ] [ 0.801619 0.03574 0.152399 ] [ 0.126286 0.560804 0.861396 ] [ 0.126286 0.060804 0.638604 ] [ 0.629045 0.56894 0.501661 ] [ 0.643793 0.180505 0.594682 ] [ 0.069479 0.662911 0.990163 ] [ 0.143793 0.319495 0.094682 ] [ 0.425833 0.277262 0.636859 ] [ 0.13052 0.992004 0.283275 ] [ 0.080971 0.040207 0.790475 ] [ 0.63052 0.007996 0.716725 ] [ 0.408986 0.538222 0.194203 ] [ 0.932758 0.06555 0.976486 ] [ 0.418615 0.310579 0.136201 ] [ 0.664652 0.8274 0.633293 ] [ 0.908986 0.461778 0.805797 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 10.41993442 "source-unit" "angstrom" } "b" { "source-value" 12.69873284 "source-unit" "angstrom" } "c" { "source-value" 17.11805503 "source-unit" "angstrom" } }