{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.100633 0.748313 0.751757 ] [ 0.899367 0.748313 0.248243 ] [ 0.1047 0.24623 0.750405 ] [ 0.8953 0.24623 0.249595 ] [ 0.600633 0.248313 0.751757 ] [ 0.399367 0.248313 0.248243 ] [ 0.6047 0.74623 0.750405 ] [ 0.3953 0.74623 0.249595 ] [ 0 0.999165 0 ] [ 0.5 0.499165 0 ] [ 0 0.8323 0.5 ] [ 0 0.333885 0 ] [ 0 0.664074 0 ] [ 0 0.162129 0.5 ] [ 0.5 0.000257 0.5 ] [ 0.5 0.3323 0.5 ] [ 0.5 0.833885 0 ] [ 0.5 0.164074 0 ] [ 0.5 0.662129 0.5 ] [ 0 0.500257 0.5 ] [ 0.150372 0.823023 0.108766 ] [ 0.849628 0.823023 0.891234 ] [ 0.149563 0.679002 0.392481 ] [ 0.675216 0.824086 0.399051 ] [ 0.850437 0.679002 0.607519 ] [ 0.835757 0.995943 0.594285 ] [ 0.824784 0.324086 0.600949 ] [ 0.149643 0.174673 0.110521 ] [ 0.671711 0.997934 0.097455 ] [ 0.850357 0.174673 0.889479 ] [ 0.328289 0.997934 0.902545 ] [ 0.164243 0.995943 0.405715 ] [ 0.650372 0.323023 0.108766 ] [ 0.349628 0.323023 0.891234 ] [ 0.649563 0.179002 0.392481 ] [ 0.175216 0.324086 0.399051 ] [ 0.350437 0.179002 0.607519 ] [ 0.335757 0.495943 0.594285 ] [ 0.324784 0.824086 0.600949 ] [ 0.649643 0.674673 0.110521 ] [ 0.171711 0.497934 0.097455 ] [ 0.350357 0.674673 0.889479 ] [ 0.828289 0.497934 0.902545 ] [ 0.664243 0.495943 0.405715 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.02196412 "source-unit" "angstrom" } "b" { "source-value" 8.50991688 "source-unit" "angstrom" } "c" { "source-value" 9.95904839 "source-unit" "angstrom" } "beta" { "source-value" 91.28876701 "source-unit" "degree" } }