{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.880777 0 0.628609 ] [ 0.506138 0 0.504007 ] [ 0.114363 0 0.370499 ] [ 0.380777 0.5 0.628609 ] [ 0.006138 0.5 0.504007 ] [ 0.614363 0.5 0.370499 ] [ 0.750486 0.761261 0.985959 ] [ 0.750486 0.238739 0.985959 ] [ 0.250486 0.261261 0.985959 ] [ 0.250486 0.738739 0.985959 ] [ 0.753229 0 0.786752 ] [ 0.253229 0.5 0.786752 ] [ 0.750307 0 0.22976 ] [ 0.018865 0.247219 0.757803 ] [ 0.018865 0.752781 0.757803 ] [ 0.246506 0 0.215334 ] [ 0.980521 0.25338 0.255754 ] [ 0.980521 0.74662 0.255754 ] [ 0.249295 0 0.763536 ] [ 0.250307 0.5 0.22976 ] [ 0.518865 0.747219 0.757803 ] [ 0.518865 0.252781 0.757803 ] [ 0.746506 0.5 0.215334 ] [ 0.480521 0.75338 0.255754 ] [ 0.480521 0.24662 0.255754 ] [ 0.749295 0.5 0.763536 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "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" 10.09529627 "source-unit" "angstrom" } "b" { "source-value" 6.18816168 "source-unit" "angstrom" } "c" { "source-value" 5.91354511 "source-unit" "angstrom" } "beta" { "source-value" 123.64973793 "source-unit" "degree" } }