{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.886077 0.841678 ] [ 0.25 0.516231 0.268336 ] [ 0.75 0.257687 0.596955 ] [ 0.75 0.238303 0.407989 ] [ 0.25 0.634483 0.175504 ] [ 0.75 0.787544 0.746934 ] [ 0.25 0.466506 0.911295 ] [ 0.25 0.212456 0.253066 ] [ 0.25 0.386077 0.658322 ] [ 0.25 0.109792 0.649692 ] [ 0.75 0.609792 0.850308 ] [ 0.25 0.341853 0.338212 ] [ 0.25 0.033494 0.411295 ] [ 0.75 0.100997 0.992534 ] [ 0.75 0.365517 0.824496 ] [ 0.75 0.261697 0.907989 ] [ 0.75 0.483769 0.731664 ] [ 0.75 0.134483 0.324496 ] [ 0.75 0.712456 0.246934 ] [ 0.75 0.096222 0.490868 ] [ 0.75 0.966506 0.588705 ] [ 0.75 0.526375 0.578069 ] [ 0.25 0.757687 0.903045 ] [ 0.25 0.903778 0.509132 ] [ 0.75 0.890208 0.350308 ] [ 0.75 0.841853 0.161788 ] [ 0.25 0.899003 0.007466 ] [ 0.25 0.761697 0.592011 ] [ 0.75 0.403778 0.990868 ] [ 0.25 0.158147 0.838212 ] [ 0.25 0.742313 0.403045 ] [ 0.25 0.113923 0.158322 ] [ 0.25 0.473625 0.421931 ] [ 0.75 0.973625 0.078069 ] [ 0.25 0.287544 0.753066 ] [ 0.75 0.016231 0.231664 ] [ 0.25 0.983769 0.768336 ] [ 0.25 0.390208 0.149692 ] [ 0.75 0.399003 0.492534 ] [ 0.25 0.738303 0.092011 ] [ 0.25 0.600997 0.507466 ] [ 0.25 0.596222 0.009132 ] [ 0.75 0.613923 0.341678 ] [ 0.75 0.658147 0.661788 ] [ 0.75 0.533494 0.088705 ] [ 0.75 0.242313 0.096955 ] [ 0.25 0.026375 0.921931 ] [ 0.25 0.865517 0.675504 ] [ 0.25 0.636356 0.724085 ] [ 0.75 0.491022 0.197775 ] [ 0.75 0.008978 0.697775 ] [ 0.75 0.625366 0.446419 ] [ 0.25 0.991022 0.302225 ] [ 0.25 0.361671 0.054906 ] [ 0.25 0.138329 0.554906 ] [ 0.75 0.242449 0.194417 ] [ 0.25 0.255428 0.470183 ] [ 0.75 0.136356 0.775915 ] [ 0.25 0.757551 0.805583 ] [ 0.75 0.874634 0.946419 ] [ 0.75 0.861671 0.445094 ] [ 0.25 0.508978 0.802225 ] [ 0.25 0.742449 0.305583 ] [ 0.25 0.125366 0.053581 ] [ 0.25 0.244572 0.970183 ] [ 0.75 0.755428 0.029817 ] [ 0.75 0.363644 0.275915 ] [ 0.75 0.257551 0.694417 ] [ 0.75 0.744572 0.529817 ] [ 0.25 0.374634 0.553581 ] [ 0.75 0.638329 0.945094 ] [ 0.25 0.863644 0.224085 ] [ 0.25 0.25597 0.626933 ] [ 0.75 0.38996 0.624537 ] [ 0.25 0.98277 0.6263 ] [ 0.25 0.030266 0.979957 ] [ 0.25 0.090751 0.223931 ] [ 0.25 0.511919 0.320657 ] [ 0.25 0.731168 0.648676 ] [ 0.75 0.795258 0.690544 ] [ 0.75 0.268832 0.351324 ] [ 0.25 0.295258 0.809456 ] [ 0.75 0.704742 0.190544 ] [ 0.25 0.469734 0.479957 ] [ 0.25 0.896291 0.564562 ] [ 0.25 0.139741 0.889971 ] [ 0.75 0.667312 0.109994 ] [ 0.75 0.37286 0.122498 ] [ 0.75 0.590751 0.276069 ] [ 0.75 0.75597 0.873067 ] [ 0.25 0.988081 0.820657 ] [ 0.75 0.972055 0.521105 ] [ 0.25 0.204742 0.309456 ] [ 0.75 0.11004 0.124537 ] [ 0.25 0.88996 0.875463 ] [ 0.25 0.360259 0.389971 ] [ 0.25 0.603709 0.064562 ] [ 0.75 0.231168 0.851324 ] [ 0.25 0.62714 0.877502 ] [ 0.75 0.832688 0.609994 ] [ 0.25 0.91002 0.061545 ] [ 0.25 0.854611 0.732326 ] [ 0.75 0.103709 0.435438 ] [ 0.75 0.08998 0.938455 ] [ 0.75 0.639741 0.610029 ] [ 0.25 0.409249 0.723931 ] [ 0.75 0.354611 0.767674 ] [ 0.25 0.24403 0.126933 ] [ 0.75 0.860259 0.110029 ] [ 0.75 0.396291 0.935438 ] [ 0.25 0.167312 0.390006 ] [ 0.25 0.332688 0.890006 ] [ 0.75 0.48277 0.8737 ] [ 0.25 0.58998 0.561545 ] [ 0.75 0.12714 0.622498 ] [ 0.75 0.969734 0.020043 ] [ 0.75 0.74403 0.373067 ] [ 0.75 0.530266 0.520043 ] [ 0.25 0.027945 0.478895 ] [ 0.75 0.488081 0.679343 ] [ 0.25 0.768832 0.148676 ] [ 0.25 0.645389 0.232326 ] [ 0.75 0.527945 0.021105 ] [ 0.25 0.61004 0.375463 ] [ 0.75 0.909249 0.776069 ] [ 0.75 0.01723 0.3737 ] [ 0.25 0.472055 0.978895 ] [ 0.75 0.145389 0.267674 ] [ 0.75 0.41002 0.438455 ] [ 0.25 0.51723 0.1263 ] [ 0.25 0.87286 0.377502 ] [ 0.75 0.011919 0.179343 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" "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" 3.86079924 "source-unit" "angstrom" } "b" { "source-value" 15.48087328 "source-unit" "angstrom" } "c" { "source-value" 41.30677748 "source-unit" "angstrom" } }