{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.78098 0.113328 0.450498 ] [ 0.78098 0.386672 0.950498 ] [ 0.21902 0.613328 0.049502 ] [ 0.21902 0.886672 0.549502 ] [ 0.720526 0.776454 0.006281 ] [ 0.720526 0.723546 0.506281 ] [ 0.279474 0.276454 0.493719 ] [ 0.279474 0.223546 0.993719 ] [ 0.948771 0.536581 0.290022 ] [ 0.948771 0.963419 0.790022 ] [ 0.542022 0.415125 0.294561 ] [ 0.457978 0.915125 0.205439 ] [ 0.542022 0.084875 0.794561 ] [ 0.457978 0.584875 0.705439 ] [ 0.051229 0.463419 0.709978 ] [ 0.051229 0.036581 0.209978 ] [ 0.530229 0.578975 0.366649 ] [ 0.850398 0.941496 0.15664 ] [ 0.934759 0.675414 0.393529 ] [ 0.774527 0.397924 0.28328 ] [ 0.914263 0.909137 0.626624 ] [ 0.850398 0.558504 0.65664 ] [ 0.934759 0.824586 0.893529 ] [ 0.60251 0.914346 0.366271 ] [ 0.479378 0.768555 0.110585 ] [ 0.774527 0.102076 0.78328 ] [ 0.469771 0.078975 0.133351 ] [ 0.914263 0.590863 0.126624 ] [ 0.520622 0.268555 0.389415 ] [ 0.39749 0.414346 0.133729 ] [ 0.60251 0.585654 0.866271 ] [ 0.479378 0.731445 0.610585 ] [ 0.469771 0.421025 0.633351 ] [ 0.530229 0.921025 0.866649 ] [ 0.085737 0.409137 0.873376 ] [ 0.520622 0.231445 0.889415 ] [ 0.39749 0.085654 0.633729 ] [ 0.065241 0.175414 0.106471 ] [ 0.149602 0.441496 0.34336 ] [ 0.085737 0.090863 0.373376 ] [ 0.225473 0.602076 0.71672 ] [ 0.065241 0.324586 0.606471 ] [ 0.149602 0.058504 0.84336 ] [ 0.225473 0.897924 0.21672 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.82244416725 "source-unit" "angstrom" } "b" { "source-value" 8.20988823 "source-unit" "angstrom" } "c" { "source-value" 9.45286911828 "source-unit" "angstrom" } "beta" { "source-value" 107.874991472 "source-unit" "degree" } }