{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.1499449 -40.9210328 -4.3658276 ] [ -17.9764543 2.229112 20.8291701 ] [ -21.4444744 10.6728852 -10.765002 ] [ 10.6152192 -18.6635492 -14.1630747 ] [ 20.5229638 -5.1466936 19.90438 ] [ 8.6525789 9.1452621 -22.2813885 ] [ 26.7801118 42.6840162 10.8417427 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.34990069747882e-08 -6.556272205114996e-08 -6.994826911163375e-09 ] [ -2.880145480433963e-08 3.57143113154473e-09 3.33720093648864e-08 ] [ -3.435783552902411e-08 1.709984714392233e-08 -1.724743452726524e-08 ] [ 1.700745602690728e-08 -2.990230218939054e-08 -2.269174716298397e-08 ] [ 3.288141278988473e-08 -8.245912160340986e-09 3.18903322875191e-08 ] [ 1.386295962320738e-08 1.465232512770831e-08 -3.569871973366198e-08 ] [ 4.290646902837021e-08 6.838733283748846e-08 1.737038668266907e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.197257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.716610283208915e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4129038 0.6307355 2.9343468 ] [ 1.7877055 2.6110762 4.0661521 ] [ 1.4843182 4.1034006 2.2578392 ] [ 3.6451401 1.4034555 1.0659586 ] [ 3.8017636 3.4215032 5.0044521 ] [ 3.6154353 3.7572622 1.2947204 ] [ 5.0339385 4.1942718 3.1360458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4129038e-10 6.307355e-11 2.9343468e-10 ] [ 1.7877055e-10 2.6110762e-10 4.0661521e-10 ] [ 1.4843182e-10 4.1034006e-10 2.2578392e-10 ] [ 3.6451401e-10 1.4034555e-10 1.0659586e-10 ] [ 3.8017636e-10 3.4215032e-10 5.0044521e-10 ] [ 3.6154353e-10 3.7572622e-10 1.2947204e-10 ] [ 5.033938499999999e-10 4.1942718e-10 3.1360458e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 -2.03e-05 -1.64e-05 ] [ 2.08e-05 9.7e-06 1.09e-05 ] [ -1.7e-05 1.2e-06 -6.7e-06 ] [ -2.53e-05 -3.9e-06 -1.2e-06 ] [ -2.64e-05 1.62e-05 9.1e-06 ] [ 5.6e-06 6.4e-06 -1.1e-06 ] [ 2.45e-05 -9.3e-06 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 -3.252418540224e-14 -2.627569658112e-14 ] [ 3.332527371264e-14 1.554111322176e-14 1.746372516672e-14 ] [ -2.72370025536e-14 1.92261194496e-15 -1.073458335936e-14 ] [ -4.053506850624e-14 -6.24848882112e-15 -1.92261194496e-15 ] [ -4.229746278912e-14 2.595526125696e-14 1.457980724928e-14 ] [ 8.972189076479999e-15 1.025393037312e-14 -1.76239428288e-15 ] [ 3.92533272096e-14 -1.490024257344e-14 8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }