{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.227215 0.490801 0.047654 ] [ 0.727215 0.009199 0.952346 ] [ 0.772785 0.990801 0.452346 ] [ 0.272785 0.509199 0.547654 ] [ 0.461803 0.282134 0.223541 ] [ 0.961803 0.217866 0.776459 ] [ 0.538197 0.782134 0.276459 ] [ 0.038197 0.717866 0.723541 ] [ 0.041953 0.353181 0.013818 ] [ 0.541953 0.146819 0.986182 ] [ 0.958047 0.853181 0.486182 ] [ 0.458047 0.646819 0.513818 ] [ 0.07035 0.649903 0.059025 ] [ 0.57035 0.850097 0.940975 ] [ 0.92965 0.149903 0.440975 ] [ 0.42965 0.350097 0.559025 ] [ 0.448608 0.51433 0.973872 ] [ 0.948608 0.98567 0.026128 ] [ 0.551392 0.01433 0.526128 ] [ 0.051392 0.48567 0.473872 ] [ 0.756302 0.248734 0.204713 ] [ 0.256302 0.251266 0.795287 ] [ 0.243698 0.748734 0.295287 ] [ 0.743698 0.751266 0.704713 ] [ 0.420188 0.328928 0.328398 ] [ 0.920188 0.171072 0.671602 ] [ 0.579812 0.828928 0.171602 ] [ 0.079812 0.671072 0.828398 ] [ 0.297226 0.130704 0.198153 ] [ 0.797226 0.369296 0.801847 ] [ 0.702774 0.630704 0.301847 ] [ 0.202774 0.869296 0.698153 ] [ 0.361596 0.443811 0.155613 ] [ 0.861596 0.056189 0.844387 ] [ 0.638404 0.943811 0.344387 ] [ 0.138404 0.556189 0.655613 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 4.90599633 "source-unit" "angstrom" } "b" { "source-value" 7.95355354 "source-unit" "angstrom" } "c" { "source-value" 13.61344265 "source-unit" "angstrom" } }