{ "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" [ [ 0.066431 0.30226 0.643575 ] [ 0.253635 0.957762 0.493978 ] [ 0.246365 0.457762 0.506022 ] [ 0.566431 0.19774 0.643575 ] [ 0.433569 0.80226 0.356425 ] [ 0.753635 0.542238 0.493978 ] [ 0.746365 0.042238 0.506022 ] [ 0.933569 0.69774 0.356425 ] [ 0.236016 0.397502 0.025991 ] [ 0.736016 0.102498 0.025991 ] [ 0.4119 0.600114 0.841755 ] [ 0.9119 0.899886 0.841755 ] [ 0.0881 0.100114 0.158245 ] [ 0.5881 0.399886 0.158245 ] [ 0.263984 0.897502 0.974009 ] [ 0.763984 0.602498 0.974009 ] [ 0.060594 0.768895 0.639354 ] [ 0.353759 0.136165 0.773992 ] [ 0.560594 0.731105 0.639354 ] [ 0.853759 0.363835 0.773992 ] [ 0.146241 0.636165 0.226008 ] [ 0.439406 0.268895 0.360646 ] [ 0.646241 0.863835 0.226008 ] [ 0.939406 0.231105 0.360646 ] [ 0.119783 0.117265 0.98204 ] [ 0.07292 0.836468 0.760243 ] [ 0.275057 0.29493 0.796845 ] [ 0.619783 0.382735 0.98204 ] [ 0.394699 0.966783 0.856274 ] [ 0.179572 0.684503 0.630129 ] [ 0.57292 0.663532 0.760243 ] [ 0.386505 0.154999 0.669337 ] [ 0.775057 0.20507 0.796845 ] [ 0.894699 0.533217 0.856274 ] [ 0.427683 0.70993 0.529749 ] [ 0.072317 0.20993 0.470251 ] [ 0.679572 0.815497 0.630129 ] [ 0.886505 0.345001 0.669337 ] [ 0.113495 0.654999 0.330663 ] [ 0.320428 0.184503 0.369871 ] [ 0.927683 0.79007 0.529749 ] [ 0.572317 0.29007 0.470251 ] [ 0.105301 0.466783 0.143726 ] [ 0.224943 0.79493 0.203155 ] [ 0.613495 0.845001 0.330663 ] [ 0.42708 0.336468 0.239757 ] [ 0.820428 0.315497 0.369871 ] [ 0.605301 0.033217 0.143726 ] [ 0.380217 0.617265 0.01796 ] [ 0.724943 0.70507 0.203155 ] [ 0.92708 0.163532 0.239757 ] [ 0.880217 0.882735 0.01796 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "C" "C" "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" 9.61250279 "source-unit" "angstrom" } "b" { "source-value" 6.04777932 "source-unit" "angstrom" } "c" { "source-value" 10.66623364 "source-unit" "angstrom" } "beta" { "source-value" 116.41010783 "source-unit" "degree" } }