{ "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" [ [ 0.996864 0.064479 0.815002 ] [ 0.000821 0.810843 0.564252 ] [ 0.003136 0.935521 0.184998 ] [ 0.000251 0.437081 0.690645 ] [ 0.999749 0.562919 0.309355 ] [ 0.005121 0.684598 0.94046 ] [ 0.999179 0.189157 0.435748 ] [ 0.994879 0.315402 0.05954 ] [ 0.498081 0.746699 0.754115 ] [ 0.499962 0.874219 0.374254 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.500038 0.125781 0.625746 ] [ 0.501919 0.253301 0.245885 ] [ 0.500391 0.625242 0.125433 ] [ 0.499609 0.374758 0.874567 ] [ 0.722616 0.911846 0.782222 ] [ 0.28048 0.961539 0.593125 ] [ 0.71952 0.038461 0.406875 ] [ 0.26738 0.596568 0.711552 ] [ 0.723112 0.661855 0.532994 ] [ 0.726392 0.79055 0.156119 ] [ 0.273262 0.71234 0.347884 ] [ 0.726738 0.28766 0.652116 ] [ 0.73262 0.403432 0.288448 ] [ 0.268452 0.845758 0.960876 ] [ 0.276888 0.338145 0.467006 ] [ 0.726375 0.54021 0.902609 ] [ 0.273625 0.45979 0.097391 ] [ 0.731548 0.154242 0.039124 ] [ 0.277384 0.088154 0.217778 ] [ 0.273608 0.20945 0.843881 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ni" "Ni" "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" 5.11808844 "source-unit" "angstrom" } "b" { "source-value" 7.78612356 "source-unit" "angstrom" } "c" { "source-value" 7.79531758 "source-unit" "angstrom" } "alpha" { "source-value" 81.96622231 "source-unit" "degree" } "beta" { "source-value" 83.78186636 "source-unit" "degree" } "gamma" { "source-value" 71.10924237 "source-unit" "degree" } }