{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1245765 0.7475087 1.786193 ] [ 0.3647006 0.5676843 -0.9913775 ] [ -1.4516932 0.1783584 -0.1446048 ] [ 1.6108594 -3.1939385 -1.4685227 ] [ -0.5203247 -1.8419493 2.2884775 ] [ 0.0296445 4.5109927 -0.1607069 ] [ -1.1577631 -0.9686562 -1.3094586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.801770176601091e-09 1.197640962984601e-09 2.861796664836614e-09 ] [ 5.843147749117325e-10 9.095305134552134e-10 -1.588361852887152e-09 ] [ -2.325868905614338e-09 2.857616586032947e-10 -2.316824298154599e-10 ] [ 2.580881270075915e-09 -5.117253592973021e-09 -2.352832737054092e-09 ] [ -8.336520695647738e-10 -2.951128105158925e-09 3.666545147726832e-09 ] [ 4.74957248353056e-11 7.227407040539469e-09 -2.574808379812435e-10 ] [ -1.854940971244932e-09 -1.551958317232969e-09 -2.097983954825499e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.846071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.179691097093688e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9646519 2.08253 1.3616097 ] [ 3.320818 0.6686544 2.6097175 ] [ 1.8389263 3.2955702 3.3386681 ] [ 5.2073231 1.9087757 1.9793194 ] [ 4.0361736 2.5130385 4.0215298 ] [ 3.7262074 4.5343199 2.7078499 ] [ 3.8635297 3.3300182 0.7262654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9646519e-10 2.08253e-10 1.3616097e-10 ] [ 3.320818e-10 6.686544e-11 2.6097175e-10 ] [ 1.8389263e-10 3.2955702e-10 3.3386681e-10 ] [ 5.2073231e-10 1.9087757e-10 1.9793194e-10 ] [ 4.0361736e-10 2.5130385e-10 4.0215298e-10 ] [ 3.7262074e-10 4.5343199e-10 2.7078499e-10 ] [ 3.8635297e-10 3.3300182e-10 7.262653999999999e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.74e-05 1.67e-05 -4.65e-05 ] [ -1.68e-05 -1.8e-06 7.94e-05 ] [ 1.34e-05 -7e-06 -1.13e-05 ] [ 3.68e-05 -1.2e-05 -1.98e-05 ] [ 3.68e-05 4.7e-06 -2.45e-05 ] [ -4.78e-05 -5.8e-05 -1.71e-05 ] [ 3.51e-05 5.73e-05 3.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.196493803392e-14 2.675634956736e-14 -7.45012128672e-14 ] [ -2.691656722944e-14 -2.88391791744e-15 1.2721282369152e-13 ] [ 2.146916671872e-14 -1.12152363456e-14 -1.810459581504e-14 ] [ 5.896009964544001e-14 -1.92261194496e-14 -3.172309709184e-14 ] [ 5.896009964544001e-14 7.53023011776e-15 -3.92533272096e-14 ] [ -7.658404247424001e-14 -9.29262440064e-14 -2.739722021568e-14 ] [ 5.623639939008e-14 9.180472037184001e-14 6.376662950784e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }