{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3218785 0.9859768 -12.1723484 ] [ -4.1597032 -2.8093503 13.2520282 ] [ -7.4846913 6.7951471 -6.2625111 ] [ -0.0118024 -3.6922749 -3.6834726 ] [ 5.9325935 1.4310617 -6.6189858 ] [ 3.8125276 -2.0814426 7.185575 ] [ 4.2329543 -0.6291178 8.2997148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.720059449038173e-09 1.579708977611197e-09 -1.950225202671229e-08 ] [ -6.664579216506947e-09 -4.501075370297467e-09 2.12320897602223e-08 ] [ -1.199179741476516e-08 1.088702581851692e-08 -1.003364887192049e-08 ] [ -1.890952934932992e-11 -5.915676522346658e-09 -5.90157368307739e-09 ] [ 9.505062606410046e-09 2.292813598662304e-09 -1.060478430216719e-08 ] [ 6.108342586874734e-09 -3.334838671257166e-09 1.151256027200496e-08 ] [ 6.781940416374829e-09 -1.00795783088913e-09 1.329760901186775e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.032764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.568731964760389e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9786553 2.0547139 1.2110341 ] [ 1.8244202 1.6186691 3.9306736 ] [ 2.2438367 4.0136868 2.6274686 ] [ 3.3985843 0.289776 2.0958949 ] [ 4.5716028 2.7715666 1.8218624 ] [ 4.5413278 1.1579502 4.0592039 ] [ 3.8276579 3.4594538 4.3877345 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9786553e-10 2.0547139e-10 1.2110341e-10 ] [ 1.8244202e-10 1.6186691e-10 3.9306736e-10 ] [ 2.2438367e-10 4.0136868e-10 2.6274686e-10 ] [ 3.3985843e-10 2.89776e-11 2.0958949e-10 ] [ 4.5716028e-10 2.7715666e-10 1.8218624e-10 ] [ 4.5413278e-10 1.1579502e-10 4.0592039e-10 ] [ 3.8276579e-10 3.4594538e-10 4.3877345e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.41e-05 -1.3e-06 2.05e-05 ] [ -1.08e-05 -7.8e-06 7e-06 ] [ 4.52e-05 -3.42e-05 4.66e-05 ] [ -2.12e-05 -1.18e-05 -2.59e-05 ] [ 2.37e-05 6e-06 -2.26e-05 ] [ -6e-06 1.09e-05 2.5e-06 ] [ -4.51e-05 3.82e-05 -2.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.259069035328e-14 -2.08282960704e-15 3.28446207264e-14 ] [ -1.730350750464e-14 -1.249697764224e-14 1.12152363456e-14 ] [ 7.241838326016e-14 -5.479444043136e-14 7.466143052928e-14 ] [ -3.396614436096001e-14 -1.890568412544e-14 -4.149637447872e-14 ] [ 3.797158591296e-14 9.6130597248e-15 -3.620919163008e-14 ] [ -9.6130597248e-15 1.746372516672e-14 4.005441552e-15 ] [ -7.225816559807999e-14 6.120314691456e-14 -4.502116304448e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.270251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.407869887074782e-18 } }