{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9669319 1.7868454 1.2323443 ] [ 0.4571041 -0.178255 -0.8687995 ] [ -2.796969 -1.0696291 0.7637395 ] [ -1.2230169 -2.6132763 -0.6304085 ] [ -0.3449324 0.3922402 -0.2283562 ] [ 2.2206482 1.2997934 -0.7531087 ] [ -0.2797659 0.3822813 0.4845892 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.151372330849224e-09 2.862841948450383e-09 1.974433242503086e-09 ] [ 7.323615083255993e-10 -2.8559599589367e-10 -1.391970258530883e-09 ] [ -4.481238377822345e-09 -1.713734751066449e-09 1.223645581362843e-09 ] [ -1.959489100167114e-09 -4.186930226045973e-09 -1.010025768574989e-09 ] [ -5.526426315895415e-10 6.284380833554867e-10 -3.658669678690308e-10 ] [ 3.557870658374158e-09 2.082498614507415e-09 -1.206613162002116e-09 ] [ -4.482343879699806e-10 6.124821664751441e-10 7.763974933287526e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.894383005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.027213896568424e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4910807 1.1209925 1.5901141 ] [ 1.3488934 2.1971838 3.7349306 ] [ 1.29755 3.4947643 1.7119899 ] [ 3.7684931 1.3459011 1.7704458 ] [ 3.4949334 1.1584775 4.0419558 ] [ 3.5828012 3.6235505 1.8873775 ] [ 3.3014002 3.5322512 4.1638233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4910807e-10 1.1209925e-10 1.5901141e-10 ] [ 1.3488934e-10 2.1971838e-10 3.734930600000001e-10 ] [ 1.29755e-10 3.4947643e-10 1.7119899e-10 ] [ 3.7684931e-10 1.3459011e-10 1.7704458e-10 ] [ 3.4949334e-10 1.1584775e-10 4.0419558e-10 ] [ 3.5828012e-10 3.6235505e-10 1.8873775e-10 ] [ 3.3014002e-10 3.5322512e-10 4.1638233e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.5e-06 -1.29e-05 -5.4e-06 ] [ 2.59e-05 -2.07e-05 -2.2e-06 ] [ -7.6e-06 1.09e-05 -3.8e-05 ] [ -1.38e-05 2.43e-05 2.47e-05 ] [ -1.42e-05 1.14e-05 -1.22e-05 ] [ -1.84e-05 -1.73e-05 3.26e-05 ] [ 3.76e-05 4.3e-06 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.5220678023e-14 -2.06680785786e-14 -8.6517538236e-15 ] [ 4.149637482059999e-14 -3.316505632379999e-14 -3.5247885948e-15 ] [ -1.21765424184e-14 1.74637253106e-14 -6.088271209199999e-14 ] [ -2.21100375492e-14 3.893289220619999e-14 3.95737628598e-14 ] [ -2.27509082028e-14 1.82648136276e-14 -1.95465549348e-14 ] [ -2.94800500656e-14 -2.77176557682e-14 5.22309582684e-14 ] [ 6.024184143839999e-14 6.8893595262e-15 6.408706536e-16 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }