{ "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" [ [ 2.396346 1.355978 3.097514 ] [ 1.884272 1.266952 5.391976 ] [ 2.390434 4.172173 2.083104 ] [ 1.306064 3.125616 3.893724 ] [ 3.942091 2.333761 1.80322 ] [ 3.489943 3.083092 4.017618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.396346e-10 1.355978e-10 3.097514e-10 ] [ 1.884272e-10 1.266952e-10 5.391976e-10 ] [ 2.390434e-10 4.172173e-10 2.083104e-10 ] [ 1.306064e-10 3.125616e-10 3.893724e-10 ] [ 3.942091e-10 2.333761e-10 1.80322e-10 ] [ 3.489943e-10 3.083092e-10 4.017618e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3020654 -26.2826213 -9.5302099 ] [ 0.2031849 -5.6671851 9.2999461 ] [ -6.2840178 9.2212575 -9.4653438 ] [ -22.4970913 14.8250582 1.0226813 ] [ 10.7124433 -1.4143711 -14.0737264 ] [ 24.1675464 9.3178619 22.7466528 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.00970218466326e-08 -4.21094013802001e-08 -1.52690794930967e-08 ] [ 3.255380964795859e-10 -9.07983147296611e-09 1.490015621612014e-08 ] [ -1.006810640385105e-08 1.477408318087666e-08 -1.516515254419423e-08 ] [ -3.604431371686309e-08 2.375236165003933e-08 1.638516069389351e-09 ] [ 1.71632262069056e-08 -2.266072309555179e-09 -2.254859540561575e-08 ] [ 3.87206778241792e-08 1.492886049202307e-08 3.644415531761485e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.691801 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.11927049244606e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2930239 0.8673189 2.9792629 ] [ 2.0411835 1.5408089 5.5781447 ] [ 2.5404338 4.4871252 2.2592661 ] [ 0.9036184 3.0503354 3.6549876 ] [ 3.8985478 2.3533607 1.5988479 ] [ 3.7323426 3.0386229 4.2166468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2930239e-10 8.673189e-11 2.9792629e-10 ] [ 2.0411835e-10 1.5408089e-10 5.5781447e-10 ] [ 2.5404338e-10 4.487125200000001e-10 2.2592661e-10 ] [ 9.036184000000001e-11 3.0503354e-10 3.6549876e-10 ] [ 3.8985478e-10 2.3533607e-10 1.5988479e-10 ] [ 3.7323426e-10 3.0386229e-10 4.2166468e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.7e-06 1.9e-06 5.2e-06 ] [ -8.3e-06 3.2e-06 -4.8e-06 ] [ 2.72e-05 -7.5e-06 -2.4e-06 ] [ -1.7e-05 -1.63e-05 -2e-07 ] [ -2.69e-05 1.18e-05 -3.6e-06 ] [ 1.53e-05 6.9e-06 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.554111322176e-14 3.04413557952e-15 8.33131842816e-15 ] [ -1.329806595264e-14 5.126965186560001e-15 -7.69044777984e-15 ] [ 4.357920408576e-14 -1.2016324656e-14 -3.84522388992e-15 ] [ -2.72370025536e-14 -2.611547891904e-14 -3.2043532416e-16 ] [ -4.309855109952001e-14 1.890568412544e-14 -5.76783583488e-15 ] [ 2.451330229824e-14 1.105501868352e-14 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.751018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.164461927659998e-18 } }