{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.806984 0.948254 0.058729 ] [ 0.654108 0.396442 0.599315 ] [ 0.345892 0.603558 0.400685 ] [ 0.193016 0.051746 0.941271 ] [ 0.953361 0.36376 0.132961 ] [ 0.8678 0.097674 0.41357 ] [ 0.1322 0.902326 0.58643 ] [ 0.680391 0.546878 0.951529 ] [ 0.046639 0.63624 0.867039 ] [ 0.590276 0.273525 0.225917 ] [ 0.769415 0.817269 0.679515 ] [ 0.319609 0.453122 0.048471 ] [ 0.230585 0.182731 0.320485 ] [ 0.5 0 0.5 ] [ 0.409724 0.726475 0.774083 ] [ 0.071362 0.213947 0.074152 ] [ 0.11293 0.336154 0.373187 ] [ 0.996465 0.031142 0.656795 ] [ 0.182252 0.513643 0.796154 ] [ 0.732276 0.147731 0.165149 ] [ 0.817748 0.486357 0.203846 ] [ 0.003535 0.968858 0.343205 ] [ 0.723999 0.221496 0.473293 ] [ 0.88707 0.663846 0.626813 ] [ 0.437346 0.309428 0.98626 ] [ 0.817459 0.420144 0.886893 ] [ 0.562654 0.690572 0.01374 ] [ 0.928638 0.786053 0.925848 ] [ 0.456534 0.402567 0.294334 ] [ 0.615423 0.853198 0.438975 ] [ 0.384577 0.146802 0.561025 ] [ 0.543466 0.597433 0.705666 ] [ 0.636658 0.950094 0.744791 ] [ 0.182541 0.579856 0.113107 ] [ 0.363342 0.049906 0.255209 ] [ 0.276001 0.778504 0.526707 ] [ 0.267724 0.852269 0.834851 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 7.41524542 "source-unit" "angstrom" } "b" { "source-value" 7.63998157 "source-unit" "angstrom" } "c" { "source-value" 7.74996614 "source-unit" "angstrom" } "alpha" { "source-value" 82.77329055 "source-unit" "degree" } "beta" { "source-value" 111.16969413 "source-unit" "degree" } "gamma" { "source-value" 113.81064773 "source-unit" "degree" } }