{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.139186 0.741091 0.324427 ] [ 0.139186 0.258909 0.824427 ] [ 0 0.290393 0.25 ] [ 0 0.577053 0.25 ] [ 0 0.422947 0.75 ] [ 0 0.709607 0.75 ] [ 0.860814 0.741091 0.175573 ] [ 0.860814 0.258909 0.675573 ] [ 0.639186 0.241091 0.324427 ] [ 0.639186 0.758909 0.824427 ] [ 0.5 0.790393 0.25 ] [ 0.5 0.077053 0.25 ] [ 0.5 0.922947 0.75 ] [ 0.5 0.209607 0.75 ] [ 0.360814 0.241091 0.175573 ] [ 0.360814 0.758909 0.675573 ] [ 0.701588 0.92245 0.343703 ] [ 0.701588 0.07755 0.843703 ] [ 0 0.114987 0.25 ] [ 0 0.885013 0.75 ] [ 0.298412 0.92245 0.156297 ] [ 0.298412 0.07755 0.656297 ] [ 0.201588 0.42245 0.343703 ] [ 0.201588 0.57755 0.843703 ] [ 0.5 0.614987 0.25 ] [ 0.5 0.385013 0.75 ] [ 0.798412 0.42245 0.156297 ] [ 0.798412 0.57755 0.656297 ] [ 0.726707 0.814794 0.157007 ] [ 0.726707 0.185206 0.657007 ] [ 0.148303 0.049966 0.38281 ] [ 0.148303 0.950034 0.88281 ] [ 0.08719 0.647957 0.0481 ] [ 0.08719 0.352043 0.5481 ] [ 0.622761 0.973427 0.989175 ] [ 0.622761 0.026573 0.489175 ] [ 0.022443 0.206703 0.004661 ] [ 0.022443 0.793297 0.504661 ] [ 0.977557 0.206703 0.495339 ] [ 0.977557 0.793297 0.995339 ] [ 0.377239 0.973427 0.510825 ] [ 0.377239 0.026573 0.010825 ] [ 0.91281 0.647957 0.4519 ] [ 0.91281 0.352043 0.9519 ] [ 0.851697 0.049966 0.11719 ] [ 0.851697 0.950034 0.61719 ] [ 0.273293 0.814794 0.342993 ] [ 0.273293 0.185206 0.842993 ] [ 0.226707 0.314794 0.157007 ] [ 0.226707 0.685206 0.657007 ] [ 0.648303 0.549966 0.38281 ] [ 0.648303 0.450034 0.88281 ] [ 0.58719 0.147957 0.0481 ] [ 0.58719 0.852043 0.5481 ] [ 0.122761 0.473427 0.989175 ] [ 0.122761 0.526573 0.489175 ] [ 0.522443 0.706703 0.004661 ] [ 0.522443 0.293297 0.504661 ] [ 0.477557 0.706703 0.495339 ] [ 0.477557 0.293297 0.995339 ] [ 0.877239 0.473427 0.510825 ] [ 0.877239 0.526573 0.010825 ] [ 0.41281 0.147957 0.4519 ] [ 0.41281 0.852043 0.9519 ] [ 0.351697 0.549966 0.11719 ] [ 0.351697 0.450034 0.61719 ] [ 0.773293 0.314794 0.342993 ] [ 0.773293 0.685206 0.842993 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 11.26756166 "source-unit" "angstrom" } "b" { "source-value" 16.50546514 "source-unit" "angstrom" } "c" { "source-value" 5.21498214 "source-unit" "angstrom" } "beta" { "source-value" 100.36361682 "source-unit" "degree" } }