{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.71768 0.99638 0.34434 ] [ 0.78232 0.49638 0.15566 ] [ 0.71768 0.00362 0.84434 ] [ 0.78232 0.50362 0.65566 ] [ 0.21768 0.49638 0.34434 ] [ 0.28232 0.99638 0.15566 ] [ 0.21768 0.50362 0.84434 ] [ 0.28232 0.00362 0.65566 ] [ 0.783549 0.129351 0.647417 ] [ 0.783549 0.870649 0.147417 ] [ 0.716451 0.629351 0.852583 ] [ 0.716451 0.370649 0.352583 ] [ 0.283549 0.629351 0.647417 ] [ 0.283549 0.370649 0.147417 ] [ 0.216451 0.129351 0.852583 ] [ 0.216451 0.870649 0.352583 ] [ 0.07315 0.704907 0.133699 ] [ 0.040604 0.804651 0.912696 ] [ 0.959396 0.804651 0.587304 ] [ 0.57315 0.795093 0.633699 ] [ 0.92685 0.704907 0.366301 ] [ 0.540604 0.695349 0.412696 ] [ 0.459396 0.695349 0.087304 ] [ 0.42685 0.795093 0.866301 ] [ 0.57315 0.204907 0.133699 ] [ 0.540604 0.304651 0.912696 ] [ 0.459396 0.304651 0.587304 ] [ 0.07315 0.295093 0.633699 ] [ 0.42685 0.204907 0.366301 ] [ 0.040604 0.195349 0.412696 ] [ 0.959396 0.195349 0.087304 ] [ 0.92685 0.295093 0.866301 ] [ 0.908207 0.685928 0.120909 ] [ 0.870475 0.806315 0.88821 ] [ 0.091793 0.685928 0.379091 ] [ 0.14065 0.84429 0.207773 ] [ 0.899713 0.681769 0.643328 ] [ 0.652144 0.042495 0.167631 ] [ 0.099066 0.754238 0.031196 ] [ 0.898005 0.980595 0.587501 ] [ 0.601995 0.480595 0.912499 ] [ 0.100287 0.681769 0.856672 ] [ 0.900934 0.754238 0.468804 ] [ 0.370475 0.693685 0.38821 ] [ 0.847856 0.542495 0.332369 ] [ 0.85935 0.84429 0.292227 ] [ 0.64065 0.65571 0.707773 ] [ 0.652144 0.957505 0.667631 ] [ 0.129525 0.806315 0.61179 ] [ 0.599066 0.745762 0.531196 ] [ 0.399713 0.818231 0.143328 ] [ 0.898005 0.019405 0.087501 ] [ 0.601995 0.519405 0.412499 ] [ 0.400934 0.745762 0.968804 ] [ 0.847856 0.457505 0.832369 ] [ 0.600287 0.818231 0.356672 ] [ 0.35935 0.65571 0.792227 ] [ 0.408207 0.814072 0.620909 ] [ 0.629525 0.693685 0.11179 ] [ 0.591793 0.814072 0.879091 ] [ 0.408207 0.185928 0.120909 ] [ 0.370475 0.306315 0.88821 ] [ 0.591793 0.185928 0.379091 ] [ 0.64065 0.34429 0.207773 ] [ 0.399713 0.181769 0.643328 ] [ 0.152144 0.542495 0.167631 ] [ 0.599066 0.254238 0.031196 ] [ 0.398005 0.480595 0.587501 ] [ 0.101995 0.980595 0.912499 ] [ 0.600287 0.181769 0.856672 ] [ 0.400934 0.254238 0.468804 ] [ 0.870475 0.193685 0.38821 ] [ 0.347856 0.042495 0.332369 ] [ 0.35935 0.34429 0.292227 ] [ 0.14065 0.15571 0.707773 ] [ 0.152144 0.457505 0.667631 ] [ 0.629525 0.306315 0.61179 ] [ 0.099066 0.245762 0.531196 ] [ 0.899713 0.318231 0.143328 ] [ 0.398005 0.519405 0.087501 ] [ 0.101995 0.019405 0.412499 ] [ 0.900934 0.245762 0.968804 ] [ 0.347856 0.957505 0.832369 ] [ 0.100287 0.318231 0.356672 ] [ 0.85935 0.15571 0.792227 ] [ 0.908207 0.314072 0.620909 ] [ 0.129525 0.193685 0.11179 ] [ 0.091793 0.314072 0.879091 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.54077983 "source-unit" "angstrom" } "b" { "source-value" 8.13574734 "source-unit" "angstrom" } "c" { "source-value" 13.95699446 "source-unit" "angstrom" } "beta" { "source-value" 106.30660945 "source-unit" "degree" } }