{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.206857 -3.8854585 -5.7368557 ] [ -7.6346838 4.1493871 5.2995638 ] [ 3.0976748 0.1596529 2.8911393 ] [ 2.3665972 0.2649116 -0.6064058 ] [ -1.1842849 -2.054356 -2.0729396 ] [ 0.0826086 0.6973752 1.807317 ] [ 1.0652311 0.6684878 -1.5818189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.535774690848825e-09 -6.225190769788637e-09 -9.19145607944322e-09 ] [ -1.22321118915605e-08 6.648051002269112e-09 8.490837220798006e-09 ] [ 4.963022143401316e-09 2.557921438229203e-10 4.632115793936077e-09 ] [ 3.791706704690742e-09 4.244351720987213e-10 -9.715691954775206e-10 ] [ -1.897433579146466e-09 -3.291441154000204e-09 -3.321215363450504e-09 ] [ 1.323535675970189e-10 1.117318241365724e-09 2.895641043774394e-09 ] [ 1.706688364169067e-09 1.071035524450026e-09 -2.534353259919573e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1058417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.458916668444573e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7241871 1.8809006 1.2588722 ] [ 0.9431114 1.857269 3.3178015 ] [ 2.0723819 2.3757392 5.1402424 ] [ 3.297221 3.4266539 1.1505341 ] [ 4.2664139 2.5286185 5.0112327 ] [ 5.361068 2.1033613 3.1498847 ] [ 3.9450347 4.7329406 2.8034784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7241871e-10 1.8809006e-10 1.2588722e-10 ] [ 9.431114000000001e-11 1.857269e-10 3.3178015e-10 ] [ 2.0723819e-10 2.3757392e-10 5.1402424e-10 ] [ 3.297221e-10 3.4266539e-10 1.1505341e-10 ] [ 4.2664139e-10 2.5286185e-10 5.0112327e-10 ] [ 5.361068e-10 2.1033613e-10 3.1498847e-10 ] [ 3.9450347e-10 4.7329406e-10 2.8034784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3347091 0.4585272 -0.2892122 ] [ -0.2643229 -0.1854765 0.6227013 ] [ -0.2473873 -0.1234043 -0.1715668 ] [ -0.1987494 -0.0712715 0.2980148 ] [ -0.1331682 -0.0310599 -0.0027228 ] [ 0.4083663 0.0439482 0.0315007 ] [ 0.1005524 -0.0912632 -0.488715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.362630947890093e-10 7.346415598408858e-10 -4.633690252901337e-10 ] [ -4.234919707220564e-10 -2.971661120078112e-10 9.976774646017671e-10 ] [ -3.963581483428359e-10 -1.977154843661894e-10 -2.748803158654695e-10 ] [ -3.184316420780275e-10 -1.141895310293472e-10 4.774723452123878e-10 ] [ -2.133589766740185e-10 -4.976344562438592e-11 -4.36240650311424e-12 ] [ 6.542749385825992e-10 7.041277856624255e-11 5.046968507883456e-11 ] [ 1.611027044453299e-10 -1.462197653793946e-10 -7.830077472342721e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.28255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.448534431620704e-18 } }