{ "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" [ [ 0.00594 0.058425 0.868394 ] [ 0.99406 0.941575 0.131606 ] [ 0.867857 0.780537 0.335855 ] [ 0.45427 0.72573 0.399051 ] [ 0.54573 0.27427 0.600949 ] [ 0.132143 0.219463 0.664145 ] [ 0.324256 0.77712 0.950746 ] [ 0.767553 0.640481 0.593638 ] [ 0.232447 0.359519 0.406362 ] [ 0.675744 0.222881 0.049254 ] [ 0.272624 0.591414 0.645306 ] [ 0.181695 0.580175 0.173888 ] [ 0.830026 0.72765 0.897305 ] [ 0.766327 0.975728 0.600707 ] [ 0.478642 0.045178 0.799462 ] [ 0.233673 0.024272 0.399293 ] [ 0.169974 0.27235 0.102695 ] [ 0.818305 0.419825 0.826112 ] [ 0.727376 0.408586 0.354694 ] [ 0.521358 0.954822 0.200538 ] [ 0.368684 0.237838 0.037773 ] [ 0.575482 0.943413 0.68707 ] [ 0.336037 0.921506 0.102244 ] [ 0.037784 0.978 0.317004 ] [ 0.962216 0.022 0.682996 ] [ 0.663963 0.078494 0.897756 ] [ 0.424518 0.056587 0.31293 ] [ 0.689662 0.049934 0.150077 ] [ 0.712808 0.102399 0.528358 ] [ 0.396333 0.173065 0.741617 ] [ 0.218857 0.168668 0.482012 ] [ 0.986623 0.180351 0.037619 ] [ 0.189198 0.251378 0.244811 ] [ 0.996029 0.321769 0.803175 ] [ 0.900998 0.568781 0.905617 ] [ 0.667297 0.364632 0.919306 ] [ 0.930669 0.360058 0.419286 ] [ 0.538543 0.345228 0.420476 ] [ 0.271885 0.427363 0.601084 ] [ 0.287192 0.897601 0.471642 ] [ 0.719937 0.459994 0.696737 ] [ 0.099002 0.431219 0.094383 ] [ 0.310338 0.950066 0.849923 ] [ 0.280063 0.540006 0.303263 ] [ 0.289787 0.632824 0.789906 ] [ 0.728115 0.572637 0.398916 ] [ 0.461457 0.654772 0.579524 ] [ 0.069331 0.639942 0.580714 ] [ 0.332703 0.635368 0.080694 ] [ 0.631316 0.762162 0.962227 ] [ 0.003971 0.678231 0.196825 ] [ 0.810802 0.748622 0.755189 ] [ 0.013377 0.819649 0.962381 ] [ 0.781143 0.831332 0.517988 ] [ 0.603667 0.826935 0.258383 ] [ 0.710213 0.367176 0.210094 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 9.44628840113 "source-unit" "angstrom" } "b" { "source-value" 10.5135030615 "source-unit" "angstrom" } "c" { "source-value" 6.46733938548 "source-unit" "angstrom" } "alpha" { "source-value" 92.6436535943 "source-unit" "degree" } "beta" { "source-value" 91.4876353485 "source-unit" "degree" } "gamma" { "source-value" 95.9749181356 "source-unit" "degree" } }