{ "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" [ [ 0.155382 0.000506 0.745784 ] [ 0.156069 0.000058 0.244848 ] [ 0.32668 0.751614 0.496017 ] [ 0.32823 0.753211 0.996213 ] [ 0.673322 0.746154 0.245109 ] [ 0.67262 0.747291 0.745191 ] [ 0.845412 0.499459 0.995001 ] [ 0.67235 0.252971 0.744792 ] [ 0.674827 0.253637 0.245546 ] [ 0.326105 0.250073 0.495054 ] [ 0.826797 0.500089 0.497112 ] [ 0.334024 0.242455 0.998465 ] [ 0.824582 0.995892 0.999368 ] [ 0.826345 0.999894 0.499771 ] [ 0.17734 0.501917 0.249537 ] [ 0.175398 0.502999 0.749056 ] [ 0.818852 0.999956 0.656168 ] [ 0.102236 0.000099 0.449571 ] [ 0.820539 0.999928 0.155968 ] [ 0.099511 0.985626 0.94616 ] [ 0.682146 0.798367 0.444389 ] [ 0.681502 0.792904 0.947429 ] [ 0.314153 0.706502 0.195338 ] [ 0.311451 0.708092 0.695005 ] [ 0.178535 0.509616 0.905742 ] [ 0.893338 0.501035 0.705652 ] [ 0.190474 0.503902 0.405997 ] [ 0.90114 0.499859 0.198598 ] [ 0.309939 0.296421 0.696843 ] [ 0.314878 0.291094 0.204365 ] [ 0.682634 0.201395 0.44497 ] [ 0.703194 0.206989 0.943533 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "P" "P" "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" 5.33075001 "source-unit" "angstrom" } "b" { "source-value" 6.21188231 "source-unit" "angstrom" } "c" { "source-value" 9.95261522 "source-unit" "angstrom" } "alpha" { "source-value" 90.05458969 "source-unit" "degree" } "beta" { "source-value" 90.09321704 "source-unit" "degree" } "gamma" { "source-value" 90.11288391 "source-unit" "degree" } }