{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.742312 0.695579 0.142887 ] [ 0.257688 0.195579 0.857113 ] [ 0.742828 0.495976 0.668249 ] [ 0.257172 0.995976 0.331751 ] [ 0.91324 0.289919 0.025561 ] [ 0.935122 0.879297 0.626467 ] [ 0.648351 0.070025 0.192594 ] [ 0.630711 0.125679 0.55601 ] [ 0.369289 0.625679 0.44399 ] [ 0.351649 0.570025 0.807406 ] [ 0.064878 0.379297 0.373533 ] [ 0.08676 0.789919 0.974439 ] [ 0.934591 0.399222 0.199184 ] [ 0.949638 0.422928 0.519016 ] [ 0.733657 0.911522 0.194739 ] [ 0.924092 0.686474 0.983883 ] [ 0.839033 0.723127 0.61943 ] [ 0.727512 0.190554 0.056513 ] [ 0.863849 0.397044 0.87839 ] [ 0.786328 0.018187 0.654167 ] [ 0.708925 0.162012 0.371763 ] [ 0.619576 0.276415 0.654636 ] [ 0.441155 0.083163 0.163395 ] [ 0.549088 0.536547 0.464593 ] [ 0.450912 0.036547 0.535407 ] [ 0.558845 0.583163 0.836605 ] [ 0.380424 0.776415 0.345364 ] [ 0.291075 0.662012 0.628237 ] [ 0.213672 0.518187 0.345833 ] [ 0.136151 0.897044 0.12161 ] [ 0.272488 0.690554 0.943487 ] [ 0.160967 0.223127 0.38057 ] [ 0.075908 0.186474 0.016117 ] [ 0.266343 0.411522 0.805261 ] [ 0.050362 0.922928 0.480984 ] [ 0.065409 0.899222 0.800816 ] ] } "species" { "source-value" [ "Li" "Li" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.2866317 "source-unit" "angstrom" } "b" { "source-value" 8.47870043 "source-unit" "angstrom" } "c" { "source-value" 7.77437848 "source-unit" "angstrom" } "beta" { "source-value" 93.29469216 "source-unit" "degree" } }