{ "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" [ [ 0.005273 0.302074 0.862403 ] [ 0.482813 0.345535 0.70361 ] [ 0.272644 0.844597 0.548127 ] [ 0.97844 0.344984 0.198327 ] [ 0.778025 0.838912 0.049436 ] [ 0.274012 0.118846 0.972487 ] [ 0.010539 0.673366 0.796441 ] [ 0.735732 0.155025 0.45211 ] [ 0.52049 0.653945 0.300236 ] [ 0.726517 0.33822 0.946559 ] [ 0.510739 0.834006 0.805227 ] [ 0.247351 0.333999 0.442739 ] [ 0.008071 0.836586 0.306575 ] [ 0.994785 0.164606 0.689083 ] [ 0.757 0.667704 0.555691 ] [ 0.507172 0.163482 0.203289 ] [ 0.25211 0.645979 0.054775 ] [ 0.786978 0.418438 0.82922 ] [ 0.750581 0.789692 0.860998 ] [ 0.321812 0.397269 0.336296 ] [ 0.389176 0.155311 0.498847 ] [ 0.465359 0.000353 0.711977 ] [ 0.244761 0.77951 0.362342 ] [ 0.484693 0.269478 0.883411 ] [ 0.286915 0.503061 0.537457 ] [ 0.366252 0.651985 0.747031 ] [ 0.439512 0.878506 0.916052 ] [ 0.90521 0.16429 0.990504 ] [ 0.970882 0.001655 0.211719 ] [ 0.006767 0.278399 0.386371 ] [ 0.076099 0.105117 0.585027 ] [ 0.787935 0.50707 0.048329 ] [ 0.11719 0.361292 0.743846 ] [ 0.85993 0.65532 0.248252 ] [ 0.197455 0.476403 0.958384 ] [ 0.931577 0.895429 0.412855 ] [ 0.996973 0.729287 0.615028 ] [ 0.038285 0.016501 0.793477 ] [ 0.11298 0.827699 0.999276 ] [ 0.587676 0.103246 0.097034 ] [ 0.648422 0.348598 0.259381 ] [ 0.715691 0.497578 0.461986 ] [ 0.489313 0.713289 0.110067 ] [ 0.755903 0.210632 0.634311 ] [ 0.541807 0.99642 0.294881 ] [ 0.612546 0.843929 0.50074 ] [ 0.682143 0.605161 0.661621 ] [ 0.270059 0.210079 0.144885 ] [ 0.184361 0.593846 0.164322 ] ] } "species" { "source-value" [ "Li" "La" "La" "La" "La" "La" "La" "La" "La" "V" "V" "V" "V" "V" "V" "V" "V" "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" 7.19310226 "source-unit" "angstrom" } "b" { "source-value" 7.37184821 "source-unit" "angstrom" } "c" { "source-value" 13.6514472 "source-unit" "angstrom" } "alpha" { "source-value" 90.45824196 "source-unit" "degree" } "beta" { "source-value" 104.37840127 "source-unit" "degree" } "gamma" { "source-value" 91.84071141 "source-unit" "degree" } }