{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.510969 0.634484 0.645484 ] [ 0.010969 0.865516 0.354516 ] [ 0.989031 0.365516 0.145484 ] [ 0.489031 0.134484 0.854516 ] [ 0.825305 0.121392 0.589779 ] [ 0.325305 0.378608 0.410221 ] [ 0.674695 0.878608 0.089779 ] [ 0.174695 0.621392 0.910221 ] [ 0.094218 0.080978 0.672044 ] [ 0.629443 0.92437 0.669486 ] [ 0.680947 0.358543 0.659025 ] [ 0.033924 0.334856 0.508996 ] [ 0.919905 0.894557 0.498322 ] [ 0.419905 0.605443 0.501678 ] [ 0.533924 0.165144 0.491004 ] [ 0.180947 0.141457 0.340975 ] [ 0.129443 0.57563 0.330514 ] [ 0.594218 0.419022 0.327956 ] [ 0.405782 0.919022 0.172044 ] [ 0.870557 0.07563 0.169486 ] [ 0.819053 0.641457 0.159025 ] [ 0.466076 0.665144 0.008996 ] [ 0.580095 0.105443 0.998322 ] [ 0.080095 0.394557 0.001678 ] [ 0.966076 0.834856 0.991004 ] [ 0.319053 0.858543 0.840975 ] [ 0.370557 0.42437 0.830514 ] [ 0.905782 0.580978 0.827956 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 5.27747415 "source-unit" "angstrom" } "b" { "source-value" 6.01972755 "source-unit" "angstrom" } "c" { "source-value" 12.77857072 "source-unit" "angstrom" } }