{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.513721 0.371129 0.118355 ] [ 0.494139 0.731675 0.259162 ] [ 0.542597 0.121676 0.383798 ] [ 0.502003 0.503572 0.497001 ] [ 0.004474 0.372599 0.614675 ] [ 0.45267 0.87312 0.607324 ] [ 0.510288 0.26413 0.749773 ] [ 0.496314 0.630914 0.881852 ] [ 0.026312 0.895048 0.16528 ] [ 0.000948 0.282191 0.23035 ] [ 0.000995 0.721547 0.760277 ] [ 0.964912 0.095945 0.842849 ] [ 0.8011 0.251325 0.005263 ] [ 0.20799 0.115363 0.120092 ] [ 0.802764 0.00118 0.250072 ] [ 0.264416 0.472896 0.251445 ] [ 0.780934 0.347774 0.351941 ] [ 0.261358 0.880252 0.348535 ] [ 0.751628 0.13323 0.654781 ] [ 0.226535 0.642365 0.656283 ] [ 0.748328 0.521459 0.73972 ] [ 0.192777 0.99532 0.753293 ] [ 0.768577 0.885768 0.872879 ] [ 0.183393 0.756983 0.991415 ] [ 0.731564 0.658112 0.118622 ] [ 0.723321 0.747092 0.524601 ] [ 0.26683 0.265802 0.492157 ] [ 0.263057 0.348157 0.871336 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.15012269 "source-unit" "angstrom" } "b" { "source-value" 7.72886124 "source-unit" "angstrom" } "c" { "source-value" 7.74323744 "source-unit" "angstrom" } "alpha" { "source-value" 98.40839658 "source-unit" "degree" } "beta" { "source-value" 102.65171613 "source-unit" "degree" } "gamma" { "source-value" 103.37868922 "source-unit" "degree" } }