{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6220192 7.8192757 5.2351391 ] [ 3.3649038 -6.4340991 -7.3035319 ] [ 1.535539 -8.8492308 -5.4762145 ] [ 3.2441655 -2.5102327 4.4050324 ] [ -2.1846399 -5.9885931 7.3149229 ] [ -2.0798275 4.3077135 -7.1079223 ] [ 0.7418783 11.6551666 2.9325742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.405291164139373e-09 1.252786082134399e-08 8.387617541759787e-09 ] [ 5.391170244017809e-09 -1.030856323886043e-08 -1.170154815585362e-08 ] [ 2.460204706395726e-09 -1.417803081663313e-08 -8.773862914671991e-09 ] [ 5.197726160928926e-09 -4.021836177842731e-09 7.057639983292941e-09 ] [ -3.500179001484097e-09 -9.594783935353625e-09 1.171979854989152e-08 ] [ -3.332251023250634e-09 6.901717915666359e-09 -1.138814702534754e-08 ] [ 1.188620077531642e-09 1.867363559189722e-08 4.698501860711242e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.244307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.801536594092263e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.687442 4.1740028 3.4854339 ] [ 5.9593698 1.6281958 1.7533265 ] [ 3.4548878 1.3781202 1.6234366 ] [ 5.5911236 2.4287746 4.1145368 ] [ 3.2263132 1.8550072 4.0013909 ] [ 2.5758678 3.6618328 1.0202619 ] [ 5.0651018 4.8861046 3.9230229 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.687442e-10 4.1740028e-10 3.4854339e-10 ] [ 5.9593698e-10 1.6281958e-10 1.7533265e-10 ] [ 3.4548878e-10 1.3781202e-10 1.6234366e-10 ] [ 5.5911236e-10 2.4287746e-10 4.1145368e-10 ] [ 3.2263132e-10 1.8550072e-10 4.0013909e-10 ] [ 2.5758678e-10 3.6618328e-10 1.0202619e-10 ] [ 5.0651018e-10 4.8861046e-10 3.9230229e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 3.7e-06 1e-06 ] [ -3.1e-06 7e-06 2.1e-06 ] [ 9e-07 -3.1e-06 -2.5e-06 ] [ -4e-06 -5.8e-06 1.08e-05 ] [ 1.08e-05 7.6e-06 -7.5e-06 ] [ -4.6e-06 -1.8e-06 1.9e-06 ] [ 9e-07 -7.6e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-15 5.9280535458e-15 1.602176634e-15 ] [ -4.9667475654e-15 1.1215236438e-14 3.364570931399999e-15 ] [ 1.4419589706e-15 -4.9667475654e-15 -4.005441585e-15 ] [ -6.408706535999999e-15 -9.2926244772e-15 1.73035076472e-14 ] [ 1.73035076472e-14 1.21765424184e-14 -1.2016324755e-14 ] [ -7.370012516399999e-15 -2.8839179412e-15 3.0441356046e-15 ] [ 1.4419589706e-15 -1.21765424184e-14 -9.1324068138e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.894908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347733336717967e-18 } }