{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.189526 -0.3998671 0.1270507 ] [ 0.3691444 -0.9502838 -6.1306008 ] [ -4.781619 -1.8779827 3.0887858 ] [ 3.8138698 5.7614903 2.5336963 ] [ -1.3461311 -5.4120005 -6.9163724 ] [ -0.3483292 1.6906425 -2.9305283 ] [ 1.1035392 1.1880015 10.2279687 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.905830747033741e-09 -6.406577190470957e-10 2.035576611962745e-10 ] [ 5.914345273792436e-10 -1.522522487484983e-09 -9.822305273217778e-09 ] [ -7.660998171373075e-09 -3.00885997620686e-09 4.948780395419025e-09 ] [ 6.110493028335172e-09 9.230925059625979e-09 4.059428976067463e-09 ] [ -2.156739776951787e-09 -8.670980672857912e-09 -1.108125016002638e-08 ] [ -5.580849005819673e-10 2.708707887630864e-09 -4.695223928852769e-09 ] [ 1.768064706376335e-09 1.903388228775331e-09 1.638701232941417e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.432639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.95323432654463e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2185186 1.9580811 3.6253956 ] [ 1.9935102 3.6982883 0.8289052 ] [ 1.0740086 3.9392905 3.0016073 ] [ 3.0137756 5.162222 3.6065426 ] [ 3.579746 2.0259346 1.6093483 ] [ 4.1797573 4.4434227 1.5951215 ] [ 4.3495267 3.1304578 3.7050414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2185186e-10 1.9580811e-10 3.6253956e-10 ] [ 1.9935102e-10 3.6982883e-10 8.289052e-11 ] [ 1.0740086e-10 3.9392905e-10 3.0016073e-10 ] [ 3.0137756e-10 5.162222e-10 3.6065426e-10 ] [ 3.579746e-10 2.0259346e-10 1.6093483e-10 ] [ 4.1797573e-10 4.4434227e-10 1.5951215e-10 ] [ 4.3495267e-10 3.1304578e-10 3.7050414e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-06 1.97e-05 5e-06 ] [ -8.9e-06 -8.7e-06 4.1e-06 ] [ -4.72e-05 9.7e-06 2e-05 ] [ -8.6e-06 -1.02e-05 -8.2e-06 ] [ 2.87e-05 1.2e-05 -1.08e-05 ] [ 3.17e-05 -1.05e-05 5.2e-06 ] [ 7.6e-06 -1.19e-05 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-15 3.156287942976e-14 8.010883104e-15 ] [ -1.425937192512e-14 -1.393893660096e-14 6.568924145279999e-15 ] [ -7.562273650176e-14 1.554111322176e-14 3.2043532416e-14 ] [ -1.377871893888e-14 -1.634220153216e-14 -1.313784829056e-14 ] [ 4.598246901696e-14 1.92261194496e-14 -1.730350750464e-14 ] [ 5.078899887936e-14 -1.68228545184e-14 8.33131842816e-15 ] [ 1.217654231808e-14 -1.906590178752e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.567926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615780341714446e-18 } }