{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0 ] [ 0.963344 0.569869 0.66395 ] [ 0.036656 0.069869 0.33605 ] [ 0.036656 0.430131 0.33605 ] [ 0.963344 0.930131 0.66395 ] [ 0.457542 0.25 0.144581 ] [ 0.542458 0.75 0.855419 ] [ 0.328304 0.25 0.822567 ] [ 0.671696 0.75 0.177433 ] [ 0.605385 0.25 0.538592 ] [ 0.394615 0.75 0.461408 ] [ 0.223882 0.900286 0.482044 ] [ 0.242273 0.75 0.760562 ] [ 0.716578 0.600625 0.841641 ] [ 0.283422 0.100625 0.158359 ] [ 0.283422 0.399375 0.158359 ] [ 0.716578 0.899375 0.841641 ] [ 0.54919 0.25 0.975905 ] [ 0.45081 0.75 0.024095 ] [ 0.757727 0.25 0.239438 ] [ 0.776118 0.400286 0.517956 ] [ 0.776118 0.099714 0.517956 ] [ 0.223882 0.599714 0.482044 ] [ 0.697233 0.75 0.552589 ] [ 0.302767 0.25 0.447411 ] [ 0.841532 0.599453 0.186237 ] [ 0.564423 0.25 0.712357 ] [ 0.841532 0.900547 0.186237 ] [ 0.158468 0.400547 0.813763 ] [ 0.158468 0.099453 0.813763 ] [ 0.435577 0.75 0.287643 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "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" 4.65615830736 "source-unit" "angstrom" } "b" { "source-value" 8.57072421 "source-unit" "angstrom" } "c" { "source-value" 9.07327226743 "source-unit" "angstrom" } "beta" { "source-value" 97.8650565113 "source-unit" "degree" } }