{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0733732 -8.118354 0.5932174 ] [ 0.9121532 8.4737269 0.4567319 ] [ -5.907416 4.8015805 0.103073 ] [ -0.2567258 -5.59591 -1.3317577 ] [ 4.1846046 -5.3431072 -2.4431999 ] [ -1.9246631 11.0319663 -2.6639549 ] [ 1.9186739 -5.2499025 5.2858902 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.719733446433283e-09 -1.300703697817816e-08 9.50439049331762e-10 ] [ 1.461430531627907e-09 1.357640713022406e-08 7.317651721535636e-10 ] [ -9.464723804539852e-09 7.692980019989175e-09 1.651411508357184e-10 ] [ -4.113200747161767e-10 -8.965636174100928e-09 -2.13371105151038e-09 ] [ 6.704475657412137e-09 -8.56060143826815e-09 -3.914437759720898e-09 ] [ -3.083650221736453e-09 1.767515848731348e-08 -4.268126259645602e-09 ] [ 3.074054465519157e-09 -8.411271046979472e-09 8.468929698555836e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0188056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.124536623826012e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6121094 -0.1581607 3.8161831 ] [ 4.7865807 3.2893915 0.1572163 ] [ 2.5029351 1.7802823 4.8493188 ] [ 3.6533921 4.9593145 1.0336957 ] [ 5.8806381 1.4263096 0.5732215 ] [ 2.7378099 5.3757188 2.9930196 ] [ 2.4296986 3.975894 4.6634702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6121094e-10 -1.581607e-11 3.8161831e-10 ] [ 4.786580700000001e-10 3.2893915e-10 1.572163e-11 ] [ 2.5029351e-10 1.7802823e-10 4.8493188e-10 ] [ 3.6533921e-10 4.9593145e-10 1.0336957e-10 ] [ 5.880638099999999e-10 1.4263096e-10 5.732215000000001e-11 ] [ 2.7378099e-10 5.375718799999999e-10 2.9930196e-10 ] [ 2.4296986e-10 3.975894e-10 4.6634702e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0039766 -0.1407042 0.031185 ] [ 0.1153567 -0.0753699 -0.0980586 ] [ -0.0645919 0.5408157 0.0632161 ] [ -0.1137698 0.2299211 0.1081698 ] [ 0.0529732 -0.0677531 -0.0928596 ] [ 0.0703204 0.0449035 -0.154169 ] [ -0.0642651 -0.5318131 0.1425164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.37121555027328e-12 -2.254329796883674e-10 4.9963877919648e-11 ] [ 1.848218077926394e-10 -1.207558916920339e-10 -1.571071963883789e-10 ] [ -1.034876320730515e-10 8.664822707015866e-10 1.012833574781549e-10 ] [ -1.822793137130919e-10 3.683742110486189e-10 1.733071246366118e-10 ] [ 8.487242256896255e-11 -1.085524328067245e-10 -1.487774801368397e-10 ] [ 1.126657008453043e-10 7.19433378920928e-11 -2.470059674521152e-10 ] [ -1.029640407533741e-10 -8.520585154551725e-10 2.283364441605811e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.265479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.606017017991337e-18 } }