{ "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" [ [ 0.749713 0.227722 0.557023 ] [ 0.31339 0.267219 0.056338 ] [ 0.68661 0.732781 0.943662 ] [ 0.250287 0.772278 0.442977 ] [ 0.72389 0.079951 0.845549 ] [ 0.133403 0.515429 0.810202 ] [ 0.866597 0.484571 0.189799 ] [ 0.27611 0.920049 0.154451 ] [ 0.665478 0.102776 0.675496 ] [ 0.023447 0.119805 0.910643 ] [ 0.834505 0.119265 0.417007 ] [ 0.555067 0.190297 0.930024 ] [ 0.361829 0.102232 0.171429 ] [ 0.027171 0.37019 0.662465 ] [ 0.489594 0.313289 0.495123 ] [ 0.620223 0.398231 0.211241 ] [ 0.220587 0.436591 0.947347 ] [ 0.908187 0.626702 0.817075 ] [ 0.091813 0.373298 0.182925 ] [ 0.779413 0.563409 0.052653 ] [ 0.379777 0.601769 0.788759 ] [ 0.510406 0.686711 0.504877 ] [ 0.972829 0.62981 0.337535 ] [ 0.638171 0.897768 0.828571 ] [ 0.444933 0.809703 0.069976 ] [ 0.165495 0.880735 0.582993 ] [ 0.976553 0.880195 0.089357 ] [ 0.334522 0.897224 0.324504 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 5.180952 "source-unit" "angstrom" } "b" { "source-value" 8.38677898 "source-unit" "angstrom" } "c" { "source-value" 9.30950878 "source-unit" "angstrom" } "alpha" { "source-value" 102.25086302 "source-unit" "degree" } "beta" { "source-value" 104.36657243 "source-unit" "degree" } "gamma" { "source-value" 91.41058935 "source-unit" "degree" } }