{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2nn" } "basis-atom-coordinates" { "source-value" [ [ 0.812627 0.26948 0.959403 ] [ 0.351553 0.800574 0.316711 ] [ 0.534814 0.217835 0.287203 ] [ 0.812627 0.73052 0.040597 ] [ 0.701393 0.821741 0.227869 ] [ 0.312627 0.23052 0.459403 ] [ 0.851553 0.300574 0.183289 ] [ 0.034814 0.282165 0.787203 ] [ 0.479713 0.996831 0.246327 ] [ 0.534814 0.782165 0.712797 ] [ 0.979713 0.496831 0.253673 ] [ 0.351553 0.199426 0.683289 ] [ 0.701393 0.178259 0.772131 ] [ 0.034814 0.717835 0.212797 ] [ 0.312627 0.76948 0.540597 ] [ 0.201393 0.678259 0.727869 ] [ 0.479713 0.003169 0.753673 ] [ 0.851553 0.699426 0.816711 ] [ 0.979713 0.503169 0.746327 ] [ 0.201393 0.321741 0.272131 ] [ 0.329745 0.759428 0.977432 ] [ 0.500801 0.53913 0.246889 ] [ 0.329745 0.240572 0.022568 ] [ 0.500801 0.46087 0.753111 ] [ 0.829745 0.259428 0.522568 ] [ 0.000801 0.03913 0.253111 ] [ 0.829745 0.740572 0.477432 ] [ 0.000801 0.96087 0.746889 ] [ 0.125195 0 0 ] [ 0.882519 0 0.5 ] [ 0.382519 0.5 0 ] [ 0.625195 0.5 0.5 ] [ 0.442224 0.886992 0.768504 ] [ 0.251321 0.271309 0.772175 ] [ 0.916092 0.183981 0.739785 ] [ 0.070413 0.272484 0.181113 ] [ 0.751321 0.771309 0.727825 ] [ 0.661141 0.051002 0.785534 ] [ 0.827259 0.572405 0.788269 ] [ 0.75548 0.722193 0.928171 ] [ 0.503374 0.209788 0.417007 ] [ 0.25548 0.222193 0.571829 ] [ 0.827259 0.427595 0.211731 ] [ 0.660643 0.761819 0.117094 ] [ 0.160643 0.738181 0.617094 ] [ 0.751321 0.228691 0.272175 ] [ 0.25548 0.777807 0.428171 ] [ 0.251321 0.728691 0.227825 ] [ 0.75548 0.277807 0.071829 ] [ 0.442224 0.113008 0.231496 ] [ 0.161141 0.551002 0.714466 ] [ 0.327259 0.927595 0.288269 ] [ 0.570413 0.772484 0.318887 ] [ 0.070413 0.727516 0.818887 ] [ 0.503374 0.790212 0.582993 ] [ 0.327259 0.072405 0.711731 ] [ 0.160643 0.261819 0.382906 ] [ 0.942224 0.386992 0.731496 ] [ 0.003374 0.709788 0.082993 ] [ 0.003374 0.290212 0.917007 ] [ 0.942224 0.613008 0.268504 ] [ 0.660643 0.238181 0.882906 ] [ 0.916092 0.816019 0.260215 ] [ 0.416092 0.683981 0.760215 ] [ 0.570413 0.227516 0.681113 ] [ 0.416092 0.316019 0.239785 ] [ 0.661141 0.948998 0.214466 ] [ 0.161141 0.448998 0.285534 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "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" 6.64257497 "source-unit" "angstrom" } "b" { "source-value" 11.51936334 "source-unit" "angstrom" } "c" { "source-value" 11.55035769 "source-unit" "angstrom" } }