{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.365644 0 0.01008 ] [ 0.634356 0 0.51008 ] [ 0.007083 0.5 0.75344 ] [ 0.992917 0.5 0.25344 ] [ 0.038413 0 0.290474 ] [ 0.961587 0 0.790474 ] [ 0.417602 0.5 0.497376 ] [ 0.582398 0.5 0.997376 ] [ 0.49932 0.750204 0.248413 ] [ 0.50068 0.750204 0.748413 ] [ 0.50068 0.249796 0.748413 ] [ 0.49932 0.249796 0.248413 ] [ 0.210251 0 0.445453 ] [ 0.789749 0 0.945453 ] [ 0.253031 0.860536 0.172846 ] [ 0.746969 0.860536 0.672846 ] [ 0.747444 0.855585 0.329038 ] [ 0.252556 0.855585 0.829038 ] [ 0.686289 0.642613 0.138781 ] [ 0.313711 0.642613 0.638781 ] [ 0.30938 0.641624 0.356651 ] [ 0.69062 0.641624 0.856651 ] [ 0.780501 0.5 0.494554 ] [ 0.219499 0.5 0.994554 ] [ 0.30938 0.358376 0.356651 ] [ 0.69062 0.358376 0.856651 ] [ 0.686289 0.357387 0.138781 ] [ 0.313711 0.357387 0.638781 ] [ 0.747444 0.144415 0.329038 ] [ 0.252556 0.144415 0.829038 ] [ 0.746969 0.139464 0.672846 ] [ 0.253031 0.139464 0.172846 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "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" 4.4965455 "source-unit" "angstrom" } "b" { "source-value" 8.99516069 "source-unit" "angstrom" } "c" { "source-value" 9.32152057 "source-unit" "angstrom" } }