{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.423377 0.349007 0.768769 ] [ 0.576623 0.650993 0.231231 ] [ 0.16587 0.829105 0.835431 ] [ 0.5 0.5 0.5 ] [ 0.83413 0.170895 0.164569 ] [ 0.96038 0.424058 0.635333 ] [ 0.288416 0.082562 0.300634 ] [ 0.03962 0.575942 0.364667 ] [ 0.632458 0.755731 0.968403 ] [ 0.367542 0.244269 0.031597 ] [ 0.711584 0.917438 0.699366 ] [ 0.546853 0.058039 0.285172 ] [ 0.453147 0.941961 0.714828 ] [ 0.233847 0.658268 0.450869 ] [ 0.115265 0.490561 0.267044 ] [ 0.884735 0.509439 0.732956 ] [ 0.240148 0.184566 0.396729 ] [ 0.766153 0.341732 0.549131 ] [ 0.070392 0.989342 0.219618 ] [ 0.898007 0.745615 0.958723 ] [ 0.770506 0.587079 0.370462 ] [ 0.572018 0.338773 0.118149 ] [ 0.929608 0.010658 0.780382 ] [ 0.437564 0.154544 0.935495 ] [ 0.759852 0.815434 0.603271 ] [ 0.562436 0.845456 0.064505 ] [ 0.427982 0.661227 0.881851 ] [ 0.229494 0.412921 0.629538 ] [ 0.101993 0.254385 0.041277 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "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" 4.72407875 "source-unit" "angstrom" } "b" { "source-value" 6.03049701 "source-unit" "angstrom" } "c" { "source-value" 12.15376005 "source-unit" "angstrom" } "alpha" { "source-value" 100.98685567 "source-unit" "degree" } "beta" { "source-value" 90.06771538 "source-unit" "degree" } "gamma" { "source-value" 112.99377572 "source-unit" "degree" } }