{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.814433 0.025431 0.593085 ] [ 0.981034 0.010018 0.006535 ] [ 0.748891 0.28113 0.237639 ] [ 0.503979 0.456362 0.503177 ] [ 0.211851 0.751836 0.740691 ] [ 0.841946 0.578366 0.672516 ] [ 0.829234 0.149089 0.082513 ] [ 0.785409 0.60972 0.122004 ] [ 0.675716 0.324297 0.426661 ] [ 0.265496 0.132648 0.627876 ] [ 0.725945 0.891509 0.385082 ] [ 0.683342 0.929397 0.815193 ] [ 0.36164 0.697082 0.580106 ] [ 0.3234 0.063073 0.175098 ] [ 0.228364 0.38047 0.876392 ] [ 0.174076 0.423071 0.328313 ] [ 0.178198 0.838645 0.924084 ] ] } "species" { "source-value" [ "Li" "V" "V" "V" "V" "O" "O" "O" "O" "O" "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" 5.18441537 "source-unit" "angstrom" } "b" { "source-value" 5.36637801 "source-unit" "angstrom" } "c" { "source-value" 8.98954693 "source-unit" "angstrom" } "alpha" { "source-value" 105.960455 "source-unit" "degree" } "beta" { "source-value" 89.48326894 "source-unit" "degree" } "gamma" { "source-value" 118.66667701 "source-unit" "degree" } }