{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.008636 0.666507 0.2505 ] [ 0.508636 0.333493 0.2495 ] [ 0.008636 0.666507 0.7495 ] [ 0.508636 0.333493 0.7505 ] [ 0.501994 0.830119 0 ] [ 0.001994 0.169881 0.5 ] [ 0.00959 0.167521 0 ] [ 0.50959 0.832479 0.5 ] [ 0.143057 0.841522 0 ] [ 0.616707 0.135256 0 ] [ 0.10569 0.319406 0.265511 ] [ 0.60569 0.680594 0.234489 ] [ 0.116707 0.864744 0.5 ] [ 0.643057 0.158478 0.5 ] [ 0.60569 0.680594 0.765511 ] [ 0.10569 0.319406 0.734489 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "V" "V" "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" 4.98766437 "source-unit" "angstrom" } "b" { "source-value" 5.56549064 "source-unit" "angstrom" } "c" { "source-value" 6.36919559 "source-unit" "angstrom" } }