{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.741678 0.43593 0.11057 ] [ 0.258322 0.93593 0.38943 ] [ 0.741678 0.06407 0.61057 ] [ 0.258322 0.56407 0.88943 ] [ 0.27248 0.328006 0.047879 ] [ 0.494206 0.824672 0.073609 ] [ 0.237821 0.675214 0.195523 ] [ 0.463809 0.004255 0.228009 ] [ 0.016238 0.163148 0.160257 ] [ 0.536191 0.504255 0.271991 ] [ 0.762179 0.175214 0.304477 ] [ 0.505794 0.324672 0.426391 ] [ 0.983762 0.663148 0.339743 ] [ 0.72752 0.828006 0.452121 ] [ 0.27248 0.171994 0.547879 ] [ 0.016238 0.336852 0.660257 ] [ 0.494206 0.675328 0.573609 ] [ 0.237821 0.824786 0.695523 ] [ 0.463809 0.495745 0.728009 ] [ 0.983762 0.836852 0.839743 ] [ 0.536191 0.995745 0.771991 ] [ 0.762179 0.324786 0.804477 ] [ 0.505794 0.175328 0.926391 ] [ 0.72752 0.671994 0.952121 ] [ 0.255794 0.90963 0.033984 ] [ 0.288977 0.583335 0.072764 ] [ 0.980714 0.752633 0.000422 ] [ 0.518647 0.098705 0.10177 ] [ 0.512078 0.4172 0.103034 ] [ 0.218474 0.058812 0.209926 ] [ 0.743002 0.741191 0.131786 ] [ 0.299661 0.408687 0.225537 ] [ 0.771017 0.247065 0.1326 ] [ 0.48949 0.753467 0.24315 ] [ 0.51051 0.253467 0.25685 ] [ 0.984201 0.601169 0.159244 ] [ 0.700339 0.908687 0.274463 ] [ 0.781526 0.558812 0.290074 ] [ 0.487922 0.9172 0.396966 ] [ 0.481353 0.598705 0.39823 ] [ 0.015799 0.101169 0.340756 ] [ 0.711023 0.083335 0.427236 ] [ 0.744206 0.40963 0.466016 ] [ 0.228983 0.747065 0.3674 ] [ 0.256998 0.241191 0.368214 ] [ 0.019286 0.252633 0.499578 ] [ 0.980714 0.747367 0.500422 ] [ 0.743002 0.758809 0.631786 ] [ 0.771017 0.252935 0.6326 ] [ 0.255794 0.59037 0.533984 ] [ 0.288977 0.916665 0.572764 ] [ 0.984201 0.898831 0.659244 ] [ 0.518647 0.401295 0.60177 ] [ 0.512078 0.0828 0.603034 ] [ 0.218474 0.441188 0.709926 ] [ 0.299661 0.091313 0.725537 ] [ 0.015799 0.398831 0.840756 ] [ 0.48949 0.746533 0.74315 ] [ 0.51051 0.246533 0.75685 ] [ 0.228983 0.752935 0.8674 ] [ 0.700339 0.591313 0.774463 ] [ 0.256998 0.258809 0.868214 ] [ 0.781526 0.941188 0.790074 ] [ 0.487922 0.5828 0.896966 ] [ 0.481353 0.901295 0.89823 ] [ 0.019286 0.247367 0.999578 ] [ 0.711023 0.416665 0.927236 ] [ 0.744206 0.09037 0.966016 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.2276007 "source-unit" "angstrom" } "b" { "source-value" 14.44447086 "source-unit" "angstrom" } "c" { "source-value" 10.84862493 "source-unit" "angstrom" } "beta" { "source-value" 129.06575434 "source-unit" "degree" } }