{ "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" [ [ 0.644207 0.039332 0.627661 ] [ 0.312997 0.711742 0.968288 ] [ 0.815784 0.030196 0.221339 ] [ 0.871841 0.626166 0.119515 ] [ 0.505025 0.297062 0.437643 ] [ 0.467724 0.688928 0.553168 ] [ 0.141178 0.364726 0.883785 ] [ 0.191733 0.963274 0.779948 ] [ 0.226549 0.138442 0.107844 ] [ 0.440595 0.528227 0.221899 ] [ 0.102336 0.171843 0.550612 ] [ 0.89591 0.814695 0.44818 ] [ 0.569478 0.481174 0.778517 ] [ 0.772125 0.86816 0.896602 ] [ 0.974476 0.14579 0.113503 ] [ 0.698349 0.838656 0.024449 ] [ 0.247752 0.581658 0.109541 ] [ 0.437353 0.124963 0.232386 ] [ 0.690425 0.51017 0.212581 ] [ 0.373727 0.483296 0.341766 ] [ 0.899383 0.195684 0.426932 ] [ 0.948951 0.823717 0.30847 ] [ 0.359894 0.169056 0.551506 ] [ 0.653588 0.835507 0.465307 ] [ 0.026371 0.146692 0.677185 ] [ 0.113445 0.800291 0.570824 ] [ 0.62483 0.474977 0.635948 ] [ 0.327797 0.512559 0.796754 ] [ 0.578951 0.907317 0.777438 ] [ 0.78363 0.469882 0.903673 ] [ 0.283413 0.15173 0.971552 ] [ 0.023689 0.83958 0.88672 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "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" 5.31386374 "source-unit" "angstrom" } "b" { "source-value" 8.19776036 "source-unit" "angstrom" } "c" { "source-value" 9.22963189 "source-unit" "angstrom" } "alpha" { "source-value" 106.2490912 "source-unit" "degree" } "beta" { "source-value" 106.14327093 "source-unit" "degree" } "gamma" { "source-value" 87.73326689 "source-unit" "degree" } }