{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3188981 -3.5472178 -0.5219603 ] [ -0.4184388 3.1311522 -0.631225 ] [ 2.2287218 -1.7445827 0.3844655 ] [ -2.9066396 -2.6655547 -0.8477407 ] [ 0.4588163 -0.8432433 -0.9286237 ] [ 0.0373297 4.2316815 1.1341997 ] [ 1.9191088 1.4377648 1.4108846 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.113107701037541e-09 -5.68326942804561e-09 -8.362725896457543e-10 ] [ -6.704128625956071e-10 5.016658851006486e-09 -1.01133393746448e-09 ] [ 3.570805962227294e-09 -2.79512961499214e-09 6.159816356041824e-10 ] [ -4.656950012211464e-09 -4.270689421803558e-09 -1.358230330040627e-09 ] [ 7.351047491019591e-10 -1.351024700906241e-09 -1.487819181660793e-09 ] [ 5.980877260147777e-11 6.779901165971874e-09 1.817188242658374e-09 ] [ 3.074751252131543e-09 2.303553148769188e-09 2.26048632076676e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.604707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.500149672983411e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6412859 2.264573 2.7991355 ] [ 2.785627 4.5420411 3.3416876 ] [ 5.729258 2.4614567 1.5209288 ] [ 3.4971275 2.8236406 0.6879671 ] [ 4.8344866 1.9087424 3.6175765 ] [ 4.7448344 4.829069 1.7024977 ] [ 5.0177535 4.1798871 4.1746787 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6412859e-10 2.264573e-10 2.7991355e-10 ] [ 2.785627e-10 4.5420411e-10 3.341687600000001e-10 ] [ 5.729258e-10 2.4614567e-10 1.5209288e-10 ] [ 3.4971275e-10 2.8236406e-10 6.879671000000001e-11 ] [ 4.8344866e-10 1.9087424e-10 3.6175765e-10 ] [ 4.7448344e-10 4.829069e-10 1.7024977e-10 ] [ 5.017753500000001e-10 4.1798871e-10 4.1746787e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.21e-05 -5.1e-06 5.3e-06 ] [ 5.1e-06 -1.25e-05 4.7e-06 ] [ 4.2e-06 8.7e-06 3.3e-06 ] [ -4.8e-06 -1.07e-05 -3.1e-06 ] [ -9e-06 -6.8e-06 1.26e-05 ] [ 1.4e-05 3.62e-05 -2.41e-05 ] [ 2.6e-06 -9.8e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.938633711168e-14 -8.17110076608e-15 8.491536090240001e-15 ] [ 8.17110076608e-15 -2.002720776e-14 7.53023011776e-15 ] [ 6.72914180736e-15 1.393893660096e-14 5.28718284864e-15 ] [ -7.69044777984e-15 -1.714328984256e-14 -4.96674752448e-15 ] [ -1.44195895872e-14 -1.089480102144e-14 2.018742542208e-14 ] [ 2.24304726912e-14 5.799879367296e-14 -3.861245656128e-14 ] [ 4.16565921408e-15 -1.570133088384e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }