{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0128275 0.2857676 0.6738885 ] [ -0.3994899 0.1567173 -0.5545125 ] [ -0.728938 -0.5027081 -1.7916276 ] [ -0.2245789 2.0669144 -1.8877649 ] [ -0.5509961 -1.0017405 -0.3787869 ] [ 0.313767 0.1294139 0.7498311 ] [ -0.1340684 -1.8621544 1.2012853 ] [ 0.7114769 0.7277896 1.987687 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.622728554772635e-09 4.578501714742584e-10 1.079688408621309e-09 ] [ -6.400533832989965e-10 2.510887962035682e-10 -8.884269707609248e-10 ] [ -1.167887431234692e-09 -8.054271715425354e-10 -2.870503877549498e-09 ] [ -3.598150660694226e-10 3.311561956158129e-09 -3.024532813265346e-09 ] [ -8.827930768451273e-10 -1.604965222431477e-09 -6.068835204452944e-10 ] [ 5.02710155920278e-10 2.073439266948126e-10 1.201361867866517e-09 ] [ -2.148012578377656e-10 -2.98350026858029e-09 1.92467123842768e-09 ] [ 1.139911664810754e-09 1.166047491588206e-09 3.184625667105558e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.23778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.805932438403252e-18 } }