{ "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" [ [ 0.248433 0.000318 0.247732 ] [ 0.248433 0.499682 0.247732 ] [ 0.254967 0.388743 0.748936 ] [ 0.254967 0.111257 0.748936 ] [ 0.745033 0.611257 0.251064 ] [ 0.745033 0.888743 0.251064 ] [ 0.751567 0.999682 0.752268 ] [ 0.751567 0.500318 0.752268 ] [ 0.259251 0.628892 0.740316 ] [ 0.259251 0.871108 0.740316 ] [ 0.740749 0.371108 0.259684 ] [ 0.740749 0.128892 0.259684 ] [ 0.13334 0.796245 0.220907 ] [ 0.13334 0.703755 0.220907 ] [ 0.208849 0.296365 0.144947 ] [ 0.208849 0.203635 0.144947 ] [ 0.26766 0.25 0.543296 ] [ 0.465883 0.25 0.738392 ] [ 0.534117 0.75 0.261608 ] [ 0.73234 0.75 0.456704 ] [ 0.791151 0.796365 0.855053 ] [ 0.791151 0.703635 0.855053 ] [ 0.86666 0.296245 0.779093 ] [ 0.86666 0.203755 0.779093 ] [ 0.229462 0.75 0.2687 ] [ 0.252979 0.25 0.24286 ] [ 0.291353 0.25 0.715772 ] [ 0.708647 0.75 0.284228 ] [ 0.747021 0.75 0.75714 ] [ 0.770538 0.25 0.7313 ] [ 0.986689 0.867156 0.003904 ] [ 0.986689 0.632844 0.003904 ] [ 0.006292 0.901603 0.485068 ] [ 0.006292 0.598397 0.485068 ] [ 0.181293 0.512821 0.806531 ] [ 0.181293 0.987179 0.806531 ] [ 0.500442 0.921672 0.502275 ] [ 0.500442 0.578328 0.502275 ] [ 0.507476 0.906601 0.997521 ] [ 0.507476 0.593399 0.997521 ] [ 0.492524 0.406601 0.002479 ] [ 0.492524 0.093399 0.002479 ] [ 0.499558 0.421672 0.497725 ] [ 0.499558 0.078328 0.497725 ] [ 0.818707 0.012821 0.193469 ] [ 0.818707 0.487179 0.193469 ] [ 0.993708 0.401603 0.514932 ] [ 0.993708 0.098397 0.514932 ] [ 0.013311 0.367156 0.996096 ] [ 0.013311 0.132844 0.996096 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "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" 5.6752468 "source-unit" "angstrom" } "b" { "source-value" 16.67607432 "source-unit" "angstrom" } "c" { "source-value" 5.68459758 "source-unit" "angstrom" } "beta" { "source-value" 90.03537248 "source-unit" "degree" } }