{ "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" [ [ 0.639829 0.351124 0.097517 ] [ 0.860171 0.648876 0.597517 ] [ 0.076102 0.311843 0.603458 ] [ 0.026376 0.941662 0.535738 ] [ 0.423898 0.688157 0.103458 ] [ 0.139829 0.148876 0.902483 ] [ 0.360171 0.851124 0.402483 ] [ 0.923898 0.811843 0.896542 ] [ 0.526376 0.558338 0.464262 ] [ 0.576102 0.188157 0.396542 ] [ 0.973624 0.441662 0.964262 ] [ 0.473624 0.058338 0.035738 ] [ 0.869803 0.807304 0.243944 ] [ 0.630197 0.192696 0.743944 ] [ 0.369803 0.692696 0.756056 ] [ 0.130197 0.307304 0.256056 ] [ 0.404636 0.321299 0.56186 ] [ 0.095364 0.678701 0.06186 ] [ 0.595364 0.821299 0.93814 ] [ 0.107575 0.94685 0.74748 ] [ 0.413565 0.320452 0.931086 ] [ 0.086435 0.679548 0.431086 ] [ 0.913565 0.179548 0.068914 ] [ 0.586435 0.820452 0.568914 ] [ 0.392425 0.05315 0.24748 ] [ 0.904636 0.178701 0.43814 ] [ 0.892425 0.44685 0.75252 ] [ 0.607575 0.55315 0.25252 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "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" 6.74474772 "source-unit" "angstrom" } "b" { "source-value" 7.69965835 "source-unit" "angstrom" } "c" { "source-value" 10.41058351 "source-unit" "angstrom" } }