{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4147919 0.1188417 2.672415 ] [ 0.6892124 1.667561 0.0898235 ] [ 0.5303116 1.702107 2.13154 ] [ 2.147495 1.160279 2.850921 ] [ 1.555523 2.957039 1.141113 ] [ 2.952569 2.336763 2.431712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.147919e-11 1.188417e-11 2.672415e-10 ] [ 6.892124e-11 1.667561e-10 8.98235e-12 ] [ 5.303116e-11 1.702107e-10 2.13154e-10 ] [ 2.147495e-10 1.160279e-10 2.850921e-10 ] [ 1.555523e-10 2.957039e-10 1.141113e-10 ] [ 2.952569e-10 2.336763e-10 2.431712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0329974 -12.3453733 2.6940848 ] [ -3.8596066 -4.5229181 -7.4410266 ] [ -8.2216094 6.7677125 -0.1220155 ] [ 0.5697968 -13.066534 9.7400797 ] [ 4.266661 10.5604787 -1.8386976 ] [ 12.2777556 12.6066343 -3.0324249 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.063750766827187e-09 -1.977946847630854e-08 4.316399681012644e-09 ] [ -6.183771460005378e-09 -7.246513637613156e-09 -1.192183885327091e-08 ] [ -1.317247036602952e-08 1.084307074379592e-08 -1.954903814752224e-10 ] [ 9.129151115666534e-10 -2.093489528968831e-08 1.560532798006868e-08 ] [ 6.835944503079149e-09 1.691975207759638e-08 -2.94591830744107e-09 ] [ 1.967113297821628e-08 2.019805474243537e-08 -4.858480279111778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.2804935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.051576748786365e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3341776 0.0457795 1.9428136 ] [ 0.8929819 1.1365615 -0.101017 ] [ 0.2017088 2.2799221 2.862152 ] [ 2.1374975 0.9872787 3.5223496 ] [ 1.3782463 3.0761774 1.0442773 ] [ 3.3452909 2.4168716 2.0469491 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.341776000000001e-11 4.57795e-12 1.9428136e-10 ] [ 8.929819e-11 1.1365615e-10 -1.01017e-11 ] [ 2.017088e-11 2.2799221e-10 2.862152e-10 ] [ 2.1374975e-10 9.872787e-11 3.5223496e-10 ] [ 1.3782463e-10 3.0761774e-10 1.0442773e-10 ] [ 3.3452909e-10 2.4168716e-10 2.0469491e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.86e-05 2.4e-06 -1.04e-05 ] [ -9.1e-06 -1.45e-05 5.8e-06 ] [ -3.08e-05 9.7e-06 -2.26e-05 ] [ 4.35e-05 9e-07 -6.1e-06 ] [ -4.8e-06 1.2e-06 1.53e-05 ] [ 1.98e-05 4e-07 1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.980048514688e-14 3.84522388992e-15 -1.666263685632e-14 ] [ -1.457980724928e-14 -2.32315610016e-14 9.292624400640001e-15 ] [ -4.934703992064001e-14 1.554111322176e-14 -3.620919163008e-14 ] [ 6.969468300480001e-14 1.44195895872e-15 -9.77327738688e-15 ] [ -7.69044777984e-15 1.92261194496e-15 2.451330229824e-14 ] [ 3.172309709184e-14 6.408706483200001e-16 2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.296262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.290513674123145e-18 } }