{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.411644 0.528107 0.635579 ] [ 0.911644 0.971893 0.364421 ] [ 0.588356 0.028107 0.864421 ] [ 0.088356 0.471893 0.135579 ] [ 0.601476 0.393222 0.914832 ] [ 0.398524 0.893222 0.585168 ] [ 0.101476 0.106778 0.085168 ] [ 0.898524 0.606778 0.414832 ] [ 0.111617 0.851603 0.859328 ] [ 0.594193 0.298766 0.182802 ] [ 0.388383 0.148397 0.359328 ] [ 0.611617 0.648397 0.140672 ] [ 0.119088 0.583038 0.874704 ] [ 0.888383 0.351603 0.640672 ] [ 0.619088 0.916962 0.125296 ] [ 0.094193 0.201234 0.817198 ] [ 0.905807 0.701234 0.682802 ] [ 0.405807 0.798766 0.317198 ] [ 0.880912 0.083038 0.625296 ] [ 0.380912 0.416962 0.374704 ] [ 0.628243 0.803059 0.389664 ] [ 0.414996 0.905143 0.222351 ] [ 0.876382 0.220459 0.575448 ] [ 0.128243 0.696941 0.610336 ] [ 0.585004 0.405143 0.277649 ] [ 0.147885 0.450659 0.318591 ] [ 0.086124 0.322242 0.73909 ] [ 0.623618 0.779541 0.075448 ] [ 0.913876 0.822242 0.76091 ] [ 0.352115 0.549341 0.818591 ] [ 0.004996 0.442636 0.564609 ] [ 0.647885 0.049341 0.681409 ] [ 0.151007 0.1199 0.305175 ] [ 0.01696 0.497533 0.961632 ] [ 0.848993 0.6199 0.194825 ] [ 0.495004 0.557364 0.064609 ] [ 0.376382 0.279541 0.424552 ] [ 0.914996 0.594857 0.777649 ] [ 0.123618 0.720459 0.924552 ] [ 0.667883 0.693308 0.624892 ] [ 0.98304 0.997533 0.538368 ] [ 0.413876 0.677758 0.23909 ] [ 0.852115 0.950659 0.181409 ] [ 0.995004 0.942636 0.935391 ] [ 0.371757 0.303059 0.110336 ] [ 0.085004 0.094857 0.722351 ] [ 0.48304 0.502467 0.461632 ] [ 0.167883 0.806692 0.375108 ] [ 0.871757 0.196941 0.889664 ] [ 0.348993 0.8801 0.805175 ] [ 0.832117 0.306692 0.124892 ] [ 0.586124 0.177758 0.26091 ] [ 0.51696 0.002467 0.038368 ] [ 0.332117 0.193308 0.875108 ] [ 0.504996 0.057364 0.435391 ] [ 0.651007 0.3801 0.694825 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "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" "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" 5.5993066 "source-unit" "angstrom" } "b" { "source-value" 10.91466937 "source-unit" "angstrom" } "c" { "source-value" 11.87284133 "source-unit" "angstrom" } }