{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.5065208 0.0865572 -5.4138692 ] [ -8.2094445 4.5025097 9.3912817 ] [ 2.4051602 -18.8919182 -4.509235 ] [ 17.2246477 0.8589088 46.8682638 ] [ -1.9260387 9.6257161 -3.2289271 ] [ 8.0636285 2.0583771 -45.885988 ] [ -0.0514324 1.7598492 2.7784739 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.804853833730891e-08 1.386799222019098e-10 -8.673974660309198e-09 ] [ -1.315298004765514e-08 7.213815776265222e-09 1.504649197908688e-08 ] [ 3.853491441718652e-09 -3.026818966210602e-08 -7.224590894693088e-09 ] [ 2.759692784645649e-08 1.376123598759383e-09 7.509123651784696e-08 ] [ -3.085854175896025e-09 1.542209729387816e-08 -5.173311509887544e-09 ] [ 1.291935706151657e-08 3.297883666410104e-09 -7.351745719590935e-08 ] [ -8.240378883163393e-11 2.819589244373583e-09 4.451605924082997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.707718 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.875783206251934e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9421249 2.7381702 1.2173022 ] [ 2.2590564 2.780312 3.849697 ] [ 3.591968 0.9150558 2.383501 ] [ 5.0069739 2.9449098 3.5162694 ] [ 3.1859828 5.0483628 1.0781871 ] [ 4.6900335 2.9027644 0.8838757 ] [ 3.4916275 5.089006 3.6168267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9421249e-10 2.7381702e-10 1.2173022e-10 ] [ 2.2590564e-10 2.780312e-10 3.849697e-10 ] [ 3.591968e-10 9.150558e-11 2.383501e-10 ] [ 5.0069739e-10 2.9449098e-10 3.5162694e-10 ] [ 3.1859828e-10 5.0483628e-10 1.0781871e-10 ] [ 4.690033500000001e-10 2.9027644e-10 8.838757000000001e-11 ] [ 3.4916275e-10 5.089006000000001e-10 3.6168267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.2e-06 2.06e-05 5e-07 ] [ 9e-07 8.31e-05 6.45e-05 ] [ 6e-06 -6.56e-05 -2.01e-05 ] [ -4.81e-05 3.59e-05 1.85e-05 ] [ -4.1e-06 -4.32e-05 -7.38e-05 ] [ 2.71e-05 5.74e-05 -4.71e-05 ] [ 9e-06 -8.81e-05 5.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.474002491136e-14 3.300483838848e-14 8.010883104e-16 ] [ 1.44195895872e-15 1.3314087718848e-13 1.033403920416e-13 ] [ 9.6130597248e-15 -1.0510278632448e-13 -3.220375007808e-14 ] [ -7.706469546047999e-14 5.751814068672e-14 2.96402674848e-14 ] [ -6.568924145279999e-15 -6.921403001856e-14 -1.1824063461504e-13 ] [ 4.341898642368e-14 9.196493803392e-14 -7.546251883968001e-14 ] [ 1.44195895872e-14 -1.4115176029248e-13 9.228537335808e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.900855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989556771893079e-18 } }