{ "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" [ [ 0.168165 0.709023 0.55244 ] [ 0.831835 0.709023 0.94756 ] [ 0.831835 0.290977 0.44756 ] [ 0.168165 0.290977 0.05244 ] [ 0.860111 0.852681 0.229827 ] [ 0.139889 0.852681 0.270173 ] [ 0 0.188242 0.25 ] [ 0 0.811758 0.75 ] [ 0.797103 0.85848 0.56876 ] [ 0.202897 0.85848 0.93124 ] [ 0.202897 0.14152 0.43124 ] [ 0.797103 0.14152 0.06876 ] [ 0.97729 0.348383 0.961694 ] [ 0.02271 0.348383 0.538306 ] [ 0.02271 0.651617 0.038306 ] [ 0.97729 0.651617 0.461694 ] [ 0.139889 0.147319 0.770173 ] [ 0.860111 0.147319 0.729827 ] [ 0.668165 0.209023 0.55244 ] [ 0.331835 0.209023 0.94756 ] [ 0.331835 0.790977 0.44756 ] [ 0.668165 0.790977 0.05244 ] [ 0.360111 0.352681 0.229827 ] [ 0.639889 0.352681 0.270173 ] [ 0.5 0.688242 0.25 ] [ 0.5 0.311758 0.75 ] [ 0.297103 0.35848 0.56876 ] [ 0.702897 0.35848 0.93124 ] [ 0.702897 0.64152 0.43124 ] [ 0.297103 0.64152 0.06876 ] [ 0.47729 0.848383 0.961694 ] [ 0.52271 0.848383 0.538306 ] [ 0.52271 0.151617 0.038306 ] [ 0.47729 0.151617 0.461694 ] [ 0.639889 0.647319 0.770173 ] [ 0.360111 0.647319 0.729827 ] [ 0.662208 0.003077 0.796286 ] [ 0.337792 0.003077 0.703714 ] [ 0.337792 0.996923 0.203714 ] [ 0.662208 0.996923 0.296286 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.162208 0.503077 0.796286 ] [ 0.837792 0.503077 0.703714 ] [ 0.837792 0.496923 0.203714 ] [ 0.162208 0.496923 0.296286 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.898147 0.342502 0.805492 ] [ 0.247775 0.978515 0.335179 ] [ 0.247775 0.021485 0.835179 ] [ 0.752225 0.021485 0.664821 ] [ 0.924 0.83706 0.06189 ] [ 0.076 0.83706 0.43811 ] [ 0.076 0.16294 0.93811 ] [ 0.924 0.16294 0.56189 ] [ 0.752225 0.978515 0.164821 ] [ 0.926714 0.836645 0.565588 ] [ 0.926714 0.163355 0.065588 ] [ 0.073286 0.163355 0.434412 ] [ 0.101853 0.342502 0.694508 ] [ 0.421516 0.007339 0.067951 ] [ 0.421516 0.992661 0.567951 ] [ 0.578484 0.992661 0.932049 ] [ 0.737564 0.846663 0.393899 ] [ 0.262436 0.846663 0.106101 ] [ 0.262436 0.153337 0.606101 ] [ 0.737564 0.153337 0.893899 ] [ 0.929065 0.994724 0.835289 ] [ 0.070935 0.994724 0.664711 ] [ 0.070935 0.005276 0.164711 ] [ 0.929065 0.005276 0.335289 ] [ 0.101853 0.657498 0.194508 ] [ 0.898147 0.657498 0.305492 ] [ 0.270094 0.840878 0.610248 ] [ 0.578484 0.007339 0.432049 ] [ 0.729906 0.159122 0.389752 ] [ 0.270094 0.159122 0.110248 ] [ 0.905314 0.340238 0.301908 ] [ 0.094686 0.340238 0.198092 ] [ 0.094686 0.659762 0.698092 ] [ 0.905314 0.659762 0.801908 ] [ 0.073286 0.836645 0.934412 ] [ 0.729906 0.840878 0.889752 ] [ 0.398147 0.842502 0.805492 ] [ 0.747775 0.478515 0.335179 ] [ 0.747775 0.521485 0.835179 ] [ 0.252225 0.521485 0.664821 ] [ 0.424 0.33706 0.06189 ] [ 0.576 0.33706 0.43811 ] [ 0.576 0.66294 0.93811 ] [ 0.424 0.66294 0.56189 ] [ 0.252225 0.478515 0.164821 ] [ 0.426714 0.336645 0.565588 ] [ 0.426714 0.663355 0.065588 ] [ 0.573286 0.663355 0.434412 ] [ 0.601853 0.842502 0.694508 ] [ 0.921516 0.507339 0.067951 ] [ 0.921516 0.492661 0.567951 ] [ 0.078484 0.492661 0.932049 ] [ 0.237564 0.346663 0.393899 ] [ 0.762436 0.346663 0.106101 ] [ 0.762436 0.653337 0.606101 ] [ 0.237564 0.653337 0.893899 ] [ 0.429065 0.494724 0.835289 ] [ 0.570935 0.494724 0.664711 ] [ 0.570935 0.505276 0.164711 ] [ 0.429065 0.505276 0.335289 ] [ 0.601853 0.157498 0.194508 ] [ 0.398147 0.157498 0.305492 ] [ 0.770094 0.340878 0.610248 ] [ 0.078484 0.507339 0.432049 ] [ 0.229906 0.659122 0.389752 ] [ 0.770094 0.659122 0.110248 ] [ 0.405314 0.840238 0.301908 ] [ 0.594686 0.840238 0.198092 ] [ 0.594686 0.159762 0.698092 ] [ 0.405314 0.159762 0.801908 ] [ 0.573286 0.336645 0.934412 ] [ 0.229906 0.340878 0.889752 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" "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" 14.6112308 "source-unit" "angstrom" } "b" { "source-value" 8.71671681835 "source-unit" "angstrom" } "c" { "source-value" 10.1859190446 "source-unit" "angstrom" } "beta" { "source-value" 94.8999090663 "source-unit" "degree" } }