{ "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" [ [ 0.25 0.75 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.073769 0.190724 0.064648 ] [ 0.926231 0.809276 0.935352 ] [ 0.926231 0.190724 0.435352 ] [ 0.073769 0.809276 0.564648 ] [ 0.573769 0.690724 0.064648 ] [ 0.426231 0.309276 0.935352 ] [ 0.426231 0.690724 0.435352 ] [ 0.573769 0.309276 0.564648 ] [ 0 0.118517 0.75 ] [ 0.203832 0.062728 0.833357 ] [ 0.911106 0.596688 0.602032 ] [ 0.796168 0.937272 0.166643 ] [ 0.088894 0.403312 0.397968 ] [ 0 0.881483 0.25 ] [ 0.203832 0.937272 0.333357 ] [ 0.911106 0.403312 0.102032 ] [ 0.796168 0.062728 0.666643 ] [ 0.088894 0.596688 0.897968 ] [ 0.5 0.618517 0.75 ] [ 0.703832 0.562728 0.833357 ] [ 0.411106 0.096688 0.602032 ] [ 0.296168 0.437272 0.166643 ] [ 0.588894 0.903312 0.397968 ] [ 0.5 0.381483 0.25 ] [ 0.703832 0.437272 0.333357 ] [ 0.411106 0.903312 0.102032 ] [ 0.296168 0.562728 0.666643 ] [ 0.588894 0.096688 0.897968 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.2294189403 "source-unit" "angstrom" } "b" { "source-value" 6.33293208809 "source-unit" "angstrom" } "c" { "source-value" 7.27911269017 "source-unit" "angstrom" } "beta" { "source-value" 91.9467688092 "source-unit" "degree" } }