{ "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" [ [ 0.24818 0.414178 0.255335 ] [ 0.25182 0.914178 0.244665 ] [ 0.75182 0.585822 0.744665 ] [ 0.74818 0.085822 0.755335 ] [ 0.270638 0.345111 0.886479 ] [ 0.229362 0.845111 0.613521 ] [ 0.729362 0.654889 0.113521 ] [ 0.770638 0.154889 0.386479 ] [ 0.146025 0.455899 0.402475 ] [ 0.353975 0.955899 0.097525 ] [ 0.853975 0.544101 0.597525 ] [ 0.646025 0.044101 0.902475 ] [ 0.457144 0.452786 0.309123 ] [ 0.042856 0.952786 0.190877 ] [ 0.542856 0.547214 0.690877 ] [ 0.957144 0.047214 0.809123 ] [ 0.872305 0.132923 0.584133 ] [ 0.627695 0.632923 0.915867 ] [ 0.127695 0.867077 0.415867 ] [ 0.372305 0.367077 0.084133 ] [ 0.690865 0.167636 0.198421 ] [ 0.809135 0.667636 0.301579 ] [ 0.309135 0.832364 0.801579 ] [ 0.190865 0.332364 0.698421 ] [ 0.726227 0.837704 0.696246 ] [ 0.773773 0.337704 0.803754 ] [ 0.273773 0.162296 0.303754 ] [ 0.226227 0.662296 0.196246 ] [ 0.570787 0.138413 0.653613 ] [ 0.929213 0.638413 0.846387 ] [ 0.429213 0.861587 0.346387 ] [ 0.070787 0.361587 0.153613 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Xe" "Xe" "Xe" "Xe" "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" 8.0683938928 "source-unit" "angstrom" } "b" { "source-value" 7.43378293 "source-unit" "angstrom" } "c" { "source-value" 10.2395005889 "source-unit" "angstrom" } "beta" { "source-value" 91.0911336221 "source-unit" "degree" } }