{ "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" [ [ 0.884594 0.178855 0.057541 ] [ 0.884594 0.321145 0.557541 ] [ 0.115406 0.678855 0.442459 ] [ 0.115406 0.821145 0.942459 ] [ 0.898598 0.03161 0.761627 ] [ 0.101402 0.53161 0.738373 ] [ 0.898598 0.46839 0.261627 ] [ 0.101402 0.96839 0.238373 ] [ 0.674196 0.843491 0.95734 ] [ 0.227699 0.910427 0.623531 ] [ 0.418231 0.121571 0.680801 ] [ 0.674196 0.656509 0.45734 ] [ 0.772301 0.410427 0.876469 ] [ 0.581769 0.621571 0.819199 ] [ 0.418231 0.378429 0.180801 ] [ 0.227699 0.589573 0.123531 ] [ 0.325804 0.343491 0.54266 ] [ 0.772301 0.089573 0.376469 ] [ 0.581769 0.878429 0.319199 ] [ 0.325804 0.156509 0.04266 ] [ 0.890234 0.429651 0.745835 ] [ 0.639187 0.618416 0.639176 ] [ 0.360813 0.118416 0.860824 ] [ 0.109766 0.929651 0.754165 ] [ 0.704307 0.716552 0.973232 ] [ 0.908393 0.353065 0.088316 ] [ 0.123022 0.094042 0.039837 ] [ 0.876978 0.905958 0.960163 ] [ 0.457646 0.855744 0.751776 ] [ 0.673275 0.112528 0.782366 ] [ 0.704542 0.518886 0.958844 ] [ 0.295458 0.018886 0.541156 ] [ 0.908393 0.146935 0.588316 ] [ 0.704307 0.783448 0.473232 ] [ 0.326725 0.612528 0.717634 ] [ 0.542354 0.355744 0.748224 ] [ 0.876978 0.594042 0.460163 ] [ 0.123022 0.405958 0.539837 ] [ 0.673275 0.387472 0.282366 ] [ 0.457646 0.644256 0.251776 ] [ 0.295693 0.216552 0.526768 ] [ 0.091607 0.853065 0.411684 ] [ 0.704542 0.981114 0.458844 ] [ 0.295458 0.481114 0.041156 ] [ 0.542354 0.144256 0.248224 ] [ 0.326725 0.887472 0.217634 ] [ 0.295693 0.283448 0.026768 ] [ 0.091607 0.646935 0.911684 ] [ 0.890234 0.070349 0.245835 ] [ 0.639187 0.881584 0.139176 ] [ 0.360813 0.381584 0.360824 ] [ 0.109766 0.570349 0.254165 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.15354638 "source-unit" "angstrom" } "b" { "source-value" 12.80143325 "source-unit" "angstrom" } "c" { "source-value" 7.71339363 "source-unit" "angstrom" } "beta" { "source-value" 117.97404067 "source-unit" "degree" } }