{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.3009463 -5.7697355 -17.4364543 ] [ -11.7684122 7.1738669 -4.6571362 ] [ -1.7704573 -9.0579564 19.1304831 ] [ -9.8402093 14.9562308 -16.2635515 ] [ 2.8115208 -0.3746654 0.5461944 ] [ 10.4519449 1.3469423 -2.0733667 ] [ 5.8146668 -8.2746827 20.7538311 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.890875665948753e-09 -9.244135402460307e-09 -2.793627965926883e-08 ] [ -1.885507504612053e-08 1.149380192260601e-08 -7.46155480099555e-09 ] [ -2.836585317554728e-09 -1.451244609587076e-08 3.065041301995188e-08 ] [ -1.576575341412949e-08 2.396252352047112e-08 -2.605708219915565e-08 ] [ 4.504552931764987e-09 -6.002801494482636e-10 8.750999053016495e-10 ] [ 1.674586189863547e-08 2.158039480406218e-09 -3.321899680453687e-09 ] [ 9.31612328145555e-09 -1.325750327570403e-08 3.325130325440251e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6488705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.545919485959189e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8498208 1.6304316 0.7346633 ] [ 0.8821406 2.6607124 1.8108642 ] [ 1.6051984 1.6001881 3.9189244 ] [ 2.3282696 4.5737767 2.3942433 ] [ 3.8760052 1.0022836 2.965315 ] [ 4.4360305 3.3053407 1.7844555 ] [ 3.472035 3.2819358 4.2506883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8498208e-10 1.6304316e-10 7.346633000000001e-11 ] [ 8.821406e-11 2.6607124e-10 1.8108642e-10 ] [ 1.6051984e-10 1.6001881e-10 3.9189244e-10 ] [ 2.3282696e-10 4.5737767e-10 2.3942433e-10 ] [ 3.8760052e-10 1.0022836e-10 2.965315e-10 ] [ 4.4360305e-10 3.3053407e-10 1.7844555e-10 ] [ 3.472035e-10 3.2819358e-10 4.2506883e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.24e-05 3.46e-05 3.74e-05 ] [ 5.22e-05 -2.75e-05 -7.7e-06 ] [ 6.2e-06 3.75e-05 -4.92e-05 ] [ 2.9e-06 -7.41e-05 2.67e-05 ] [ -3.2e-05 6.59e-05 9.2e-06 ] [ -2.62e-05 -2.16e-05 -1.23e-05 ] [ 1.93e-05 -1.49e-05 -4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.588875660159999e-14 5.54353115364e-14 5.99214061116e-14 ] [ 8.36336202948e-14 -4.4059857435e-14 -1.23367600818e-14 ] [ 9.9334951308e-15 6.008162377499999e-14 -7.882709039280001e-14 ] [ 4.6463122386e-15 -1.187212885794e-13 4.277811612779999e-14 ] [ -5.126965228799999e-14 1.055834401806e-13 1.47400250328e-14 ] [ -4.197702781079999e-14 -3.46070152944e-14 -1.97067725982e-14 ] [ 3.09220090362e-14 -2.38724318466e-14 -6.568924199399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }