{ "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" [ [ -12.7292636 11.6045526 7.6432831 ] [ 7.7286012 -8.0605372 -11.1618327 ] [ -0.3484304 -13.3684245 -8.0839525 ] [ 2.9743436 -1.6561924 3.4997036 ] [ -2.4586382 -5.5819146 6.8534564 ] [ -0.43466 2.1245185 -5.2274326 ] [ 5.2680475 14.9379975 6.4767746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.039452870794672e-08 1.859254302374394e-08 1.224588958986708e-08 ] [ 1.238258425614436e-08 -1.291440435932778e-08 -1.788322754455713e-08 ] [ -5.582470454552735e-10 -2.141857736729313e-08 -1.295191980586589e-08 ] [ 4.765423817407442e-09 -2.653512764688381e-09 5.607143333845682e-09 ] [ -3.939172675499819e-09 -8.943213145103455e-09 1.098044770621776e-08 ] [ -6.964020957344398e-10 3.403853899200729e-09 -8.375270367529868e-09 ] [ 8.440342611302114e-09 2.393331055325041e-08 1.037693692780469e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.646726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.026228889380028e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5936968 4.0191137 3.6522668 ] [ 5.599716 2.4247526 1.6776937 ] [ 3.3588981 1.2472433 1.8027377 ] [ 5.5234898 2.3472981 4.2098113 ] [ 3.1466816 1.6824376 4.2228594 ] [ 3.3305638 3.7196002 1.2458718 ] [ 5.00706 4.5715926 3.1101688 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5936968e-10 4.0191137e-10 3.6522668e-10 ] [ 5.599716e-10 2.4247526e-10 1.6776937e-10 ] [ 3.3588981e-10 1.2472433e-10 1.8027377e-10 ] [ 5.523489800000001e-10 2.3472981e-10 4.2098113e-10 ] [ 3.1466816e-10 1.6824376e-10 4.2228594e-10 ] [ 3.3305638e-10 3.7196002e-10 1.2458718e-10 ] [ 5.00706e-10 4.5715926e-10 3.1101688e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 4.2e-06 7.3e-06 ] [ -1.6e-05 8.1e-06 -4.3e-06 ] [ 1.84e-05 6.26e-05 -1.55e-05 ] [ 3.3e-06 -4.13e-05 6.6e-06 ] [ -1.4e-05 -2.08e-05 3.92e-05 ] [ 1.51e-05 -5.27e-05 -1.16e-05 ] [ -1e-07 3.99e-05 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.05743657844e-14 6.729141862799999e-15 1.16958894282e-14 ] [ -2.5634826144e-14 1.29776307354e-14 -6.8893595262e-15 ] [ 2.94800500656e-14 1.002962572884e-13 -2.4833737827e-14 ] [ 5.2871828922e-15 -6.61698949842e-14 1.05743657844e-14 ] [ -2.243047287599999e-14 -3.332527398719999e-14 6.280532405279998e-14 ] [ 2.41928671734e-14 -8.44347086118e-14 -1.85852489544e-14 ] [ -1.602176634e-16 6.392684769659999e-14 -3.476723295779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }