{ "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" [ [ 0.241253 0.136571 0.847562 ] [ 0 0.5 0 ] [ 0.128305 0.272081 0.343833 ] [ 0.871695 0.727919 0.656167 ] [ 0.5 0 0.5 ] [ 0.758747 0.863429 0.152438 ] [ 0.85299 0.35953 0.855543 ] [ 0.14701 0.64047 0.144457 ] [ 0.639758 0.146546 0.650612 ] [ 0.360242 0.853454 0.349388 ] [ 0.55711 0.752967 0.959842 ] [ 0.948276 0.050669 0.252948 ] [ 0.255861 0.445705 0.53608 ] [ 0.744139 0.554295 0.46392 ] [ 0.051724 0.949331 0.747052 ] [ 0.44289 0.247033 0.040158 ] [ 0.472357 0.175978 0.888832 ] [ 0.045598 0.105901 0.792934 ] [ 0.602885 0.313779 0.987075 ] [ 0.765591 0.07408 0.423252 ] [ 0.754959 0.615745 0.923928 ] [ 0.411692 0.2549 0.578244 ] [ 0.101374 0.460216 0.721051 ] [ 0.12131 0.995925 0.310279 ] [ 0.045407 0.767897 0.908509 ] [ 0.673005 0.382783 0.544705 ] [ 0.440552 0.082372 0.230895 ] [ 0.804638 0.55853 0.600528 ] [ 0.195362 0.44147 0.399472 ] [ 0.559448 0.917628 0.769105 ] [ 0.326995 0.617217 0.455295 ] [ 0.954593 0.232103 0.091491 ] [ 0.87869 0.004075 0.689721 ] [ 0.898626 0.539784 0.278949 ] [ 0.588308 0.7451 0.421756 ] [ 0.245041 0.384255 0.076072 ] [ 0.234409 0.92592 0.576748 ] [ 0.397115 0.686221 0.012925 ] [ 0.954402 0.894099 0.207066 ] [ 0.527643 0.824022 0.111168 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.50646408 "source-unit" "angstrom" } "b" { "source-value" 8.50604923 "source-unit" "angstrom" } "c" { "source-value" 8.71118741 "source-unit" "angstrom" } "alpha" { "source-value" 62.41859437 "source-unit" "degree" } "beta" { "source-value" 61.85115345 "source-unit" "degree" } "gamma" { "source-value" 62.97813102 "source-unit" "degree" } }