{ "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" [ [ 0.37245 0.644373 0.333769 ] [ 0.12755 0.355627 0.833769 ] [ 0.62755 0.144373 0.166231 ] [ 0.87245 0.855627 0.666231 ] [ 0.153168 0.630451 0.607735 ] [ 0.346832 0.369549 0.107735 ] [ 0.846832 0.130451 0.892265 ] [ 0.653168 0.869549 0.392265 ] [ 0.299984 0.694534 0.932157 ] [ 0.529624 0.682737 0.681127 ] [ 0.690268 0.520096 0.191697 ] [ 0.809732 0.479904 0.691697 ] [ 0.970376 0.317263 0.181127 ] [ 0.200016 0.305466 0.432157 ] [ 0.700016 0.194534 0.567843 ] [ 0.470376 0.182737 0.818873 ] [ 0.309732 0.020096 0.308303 ] [ 0.190268 0.979904 0.808303 ] [ 0.029624 0.817263 0.318873 ] [ 0.799984 0.805466 0.067843 ] [ 0.459245 0.731129 0.839888 ] [ 0.132343 0.689683 0.376002 ] [ 0.341948 0.637868 0.084652 ] [ 0.729188 0.633981 0.053131 ] [ 0.401332 0.628927 0.579512 ] [ 0.906024 0.611437 0.633934 ] [ 0.627739 0.613462 0.319509 ] [ 0.192948 0.595318 0.84007 ] [ 0.638066 0.541196 0.733393 ] [ 0.861934 0.458804 0.233393 ] [ 0.307052 0.404682 0.34007 ] [ 0.872261 0.386538 0.819509 ] [ 0.593976 0.388563 0.133934 ] [ 0.098668 0.371073 0.079512 ] [ 0.770812 0.366019 0.553131 ] [ 0.158052 0.362132 0.584652 ] [ 0.367657 0.310317 0.876002 ] [ 0.040755 0.268871 0.339888 ] [ 0.540755 0.231129 0.660112 ] [ 0.867657 0.189683 0.123998 ] [ 0.658052 0.137868 0.415348 ] [ 0.270812 0.133981 0.446869 ] [ 0.598668 0.128927 0.920488 ] [ 0.093976 0.111437 0.866066 ] [ 0.372261 0.113462 0.180491 ] [ 0.807052 0.095318 0.65993 ] [ 0.361934 0.041196 0.766607 ] [ 0.138066 0.958804 0.266607 ] [ 0.692948 0.904682 0.15993 ] [ 0.127739 0.886538 0.680491 ] [ 0.406024 0.888563 0.366066 ] [ 0.901332 0.871073 0.420488 ] [ 0.229188 0.866019 0.946869 ] [ 0.841948 0.862132 0.915348 ] [ 0.632343 0.810317 0.623998 ] [ 0.959245 0.768871 0.160112 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 8.57620743 "source-unit" "angstrom" } "b" { "source-value" 8.69315869 "source-unit" "angstrom" } "c" { "source-value" 9.00241126 "source-unit" "angstrom" } }