{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.748651 0.001133 0.810754 ] [ 0.537418 0.892823 0.139937 ] [ 0.462582 0.392823 0.860063 ] [ 0.251349 0.501133 0.189246 ] [ 0.185246 0.951704 0.538172 ] [ 0.041229 0.602327 0.865217 ] [ 0.958771 0.102327 0.134783 ] [ 0.814754 0.451704 0.461828 ] [ 0.61473 0.377303 0.155041 ] [ 0.595096 0.099047 0.358821 ] [ 0.404904 0.599047 0.641179 ] [ 0.38527 0.877303 0.844959 ] [ 0.110606 0.107295 0.837873 ] [ 0.106934 0.389561 0.646251 ] [ 0.893066 0.889561 0.353749 ] [ 0.889394 0.607295 0.162127 ] [ 0.597786 0.857439 0.557644 ] [ 0.579381 0.625379 0.958205 ] [ 0.420619 0.125379 0.041795 ] [ 0.402214 0.357439 0.442356 ] [ 0.10152 0.647629 0.445256 ] [ 0.074997 0.871553 0.04492 ] [ 0.925003 0.371553 0.95508 ] [ 0.89848 0.147629 0.554744 ] [ 0.747643 0.012519 0.26914 ] [ 0.76644 0.499267 0.251098 ] [ 0.748625 0.369568 0.986927 ] [ 0.723437 0.132414 0.52919 ] [ 0.679158 0.251931 0.257091 ] [ 0.573017 0.906991 0.713367 ] [ 0.553374 0.572006 0.804372 ] [ 0.549239 0.715517 0.547457 ] [ 0.497135 0.439238 0.552573 ] [ 0.48117 0.263962 0.021386 ] [ 0.507985 0.028081 0.941693 ] [ 0.492015 0.528081 0.058307 ] [ 0.51883 0.763962 0.978614 ] [ 0.502865 0.939238 0.447427 ] [ 0.450761 0.215517 0.452543 ] [ 0.446626 0.072006 0.195628 ] [ 0.426983 0.406991 0.286633 ] [ 0.320842 0.751931 0.742909 ] [ 0.276563 0.632414 0.47081 ] [ 0.251375 0.869568 0.013073 ] [ 0.252357 0.512519 0.73086 ] [ 0.23356 0.999267 0.748902 ] [ 0.246237 0.127196 0.007934 ] [ 0.226106 0.366378 0.471447 ] [ 0.179738 0.259999 0.741482 ] [ 0.076195 0.60406 0.285425 ] [ 0.050634 0.925669 0.198516 ] [ 0.061802 0.792205 0.462005 ] [ 0.997472 0.058249 0.45678 ] [ 0.983821 0.233744 0.976691 ] [ 0.014103 0.468912 0.055281 ] [ 0.985897 0.968912 0.944719 ] [ 0.016179 0.733744 0.023309 ] [ 0.002528 0.558249 0.54322 ] [ 0.938198 0.292205 0.537995 ] [ 0.949366 0.425669 0.801484 ] [ 0.923805 0.10406 0.714575 ] [ 0.820262 0.759999 0.258518 ] [ 0.773894 0.866378 0.528553 ] [ 0.753763 0.627196 0.992066 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.59316937 "source-unit" "angstrom" } "b" { "source-value" 10.44463031 "source-unit" "angstrom" } "c" { "source-value" 9.30783417 "source-unit" "angstrom" } "beta" { "source-value" 90.07544601 "source-unit" "degree" } }