{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.833104 0.5 0.096507 ] [ 0.999673 0 0.009582 ] [ 0.999568 0 0.509307 ] [ 0.167193 0.5 0.599687 ] [ 0.333104 0 0.096507 ] [ 0.499673 0.5 0.009582 ] [ 0.499568 0.5 0.509307 ] [ 0.667193 0 0.599687 ] [ 0.170389 0 0.783425 ] [ 0.083716 0.259421 0.284729 ] [ 0.083716 0.740579 0.284729 ] [ 0.670389 0.5 0.783425 ] [ 0.583716 0.759421 0.284729 ] [ 0.583716 0.240579 0.284729 ] [ 0.914597 0.255358 0.786395 ] [ 0.914597 0.744642 0.786395 ] [ 0.830655 0 0.286619 ] [ 0.414597 0.755358 0.786395 ] [ 0.414597 0.244642 0.786395 ] [ 0.330655 0.5 0.286619 ] [ 0.833376 0.5 0.512275 ] [ 0.167064 0.5 0.010824 ] [ 0.333376 0 0.512275 ] [ 0.667064 0 0.010824 ] [ 0.914752 0.249132 0.406181 ] [ 0.981054 0.5 0.657879 ] [ 0.832823 0.5 0.890974 ] [ 0.999421 0 0.695749 ] [ 0.000446 0 0.19619 ] [ 0.914752 0.750868 0.406181 ] [ 0.760736 0.277056 0.654703 ] [ 0.760736 0.722944 0.654703 ] [ 0.834107 0 0.903906 ] [ 0.165633 0 0.408307 ] [ 0.244125 0.281614 0.154895 ] [ 0.244125 0.718386 0.154895 ] [ 0.168081 0.5 0.392901 ] [ 0.082322 0.248551 0.905663 ] [ 0.018471 0.5 0.15169 ] [ 0.082322 0.751449 0.905663 ] [ 0.414752 0.749132 0.406181 ] [ 0.481054 0 0.657879 ] [ 0.332823 0 0.890974 ] [ 0.499421 0.5 0.695749 ] [ 0.500446 0.5 0.19619 ] [ 0.414752 0.250868 0.406181 ] [ 0.260736 0.777056 0.654703 ] [ 0.260736 0.222944 0.654703 ] [ 0.334107 0.5 0.903906 ] [ 0.665633 0.5 0.408307 ] [ 0.744125 0.781614 0.154895 ] [ 0.744125 0.218386 0.154895 ] [ 0.668081 0 0.392901 ] [ 0.582322 0.748551 0.905663 ] [ 0.518471 0 0.15169 ] [ 0.582322 0.251449 0.905663 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "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" 10.39439937 "source-unit" "angstrom" } "b" { "source-value" 5.99008934 "source-unit" "angstrom" } "c" { "source-value" 9.69718897 "source-unit" "angstrom" } "beta" { "source-value" 90.55898089 "source-unit" "degree" } }