{ "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" [ [ 0.603369 0.580008 0.180706 ] [ 0.396631 0.080008 0.819294 ] [ 0.528426 0.619835 0.605405 ] [ 0.471574 0.119835 0.394595 ] [ 0.971644 0.209532 0.121405 ] [ 0.028356 0.709532 0.878595 ] [ 0.891387 0.280767 0.575641 ] [ 0.108613 0.780767 0.424359 ] [ 0.183343 0.449269 0.340528 ] [ 0.476808 0.870245 0.141591 ] [ 0.523192 0.370245 0.858409 ] [ 0.816657 0.949269 0.659472 ] [ 0.404546 0.921973 0.323614 ] [ 0.705094 0.779737 0.156963 ] [ 0.264866 0.76481 0.089558 ] [ 0.516348 0.49891 0.974283 ] [ 0.068182 0.442776 0.155486 ] [ 0.931818 0.942776 0.844514 ] [ 0.483652 0.99891 0.025717 ] [ 0.735134 0.26481 0.910442 ] [ 0.294906 0.279737 0.843037 ] [ 0.595454 0.421973 0.676386 ] [ 0.755482 0.791177 0.609976 ] [ 0.26023 0.730576 0.675757 ] [ 0.614981 0.059631 0.639075 ] [ 0.013012 0.00075 0.538635 ] [ 0.986988 0.50075 0.461365 ] [ 0.385019 0.559631 0.360925 ] [ 0.73977 0.230576 0.324243 ] [ 0.244518 0.291177 0.390024 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "P" "P" "P" "P" "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" 5.69485371 "source-unit" "angstrom" } "b" { "source-value" 9.31070075 "source-unit" "angstrom" } "c" { "source-value" 7.89641392 "source-unit" "angstrom" } "beta" { "source-value" 93.02579299 "source-unit" "degree" } }