{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0551809 -6.7570439 -0.4672249 ] [ -4.3706651 1.7629909 -1.2746124 ] [ -1.7387528 0.1893022 1.6429028 ] [ 3.9862957 4.8826275 -2.1560104 ] [ 0.418351 -3.2749225 1.4831485 ] [ 1.5072086 0.0096973 0.4965427 ] [ 2.2527436 3.1873485 0.2752537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.292762789494703e-09 -1.082597776229925e-08 -7.485768114356178e-10 ] [ -7.002577440566495e-09 2.82462280266315e-09 -2.042154187861778e-09 ] [ -2.785789085510538e-09 3.032955591060057e-10 2.632220456406859e-09 ] [ 6.386749774135571e-09 7.822831628575152e-09 -3.454309457081656e-09 ] [ 6.702721914883008e-10 -5.247004264431888e-09 2.376265851874589e-09 ] [ 2.414814381588699e-09 1.553678734488384e-11 7.955491051689082e-10 ] [ 3.609293128576827e-09 5.10669524904195e-09 4.41005042928697e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3379788 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.496109131888604e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.950528 0.0394389 2.8086396 ] [ 1.6724919 2.3027632 2.503605 ] [ 1.8646669 2.4982126 4.9277996 ] [ 3.8747507 3.09106 2.5136178 ] [ 3.102902 0.5225474 4.7407789 ] [ 4.8669869 1.331173 3.5562856 ] [ 3.4470218 4.1194918 4.5270484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.950528e-10 3.94389e-12 2.8086396e-10 ] [ 1.6724919e-10 2.3027632e-10 2.503605e-10 ] [ 1.8646669e-10 2.4982126e-10 4.927799600000001e-10 ] [ 3.8747507e-10 3.09106e-10 2.5136178e-10 ] [ 3.102902e-10 5.225474e-11 4.7407789e-10 ] [ 4.866986899999999e-10 1.331173e-10 3.5562856e-10 ] [ 3.4470218e-10 4.1194918e-10 4.5270484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-06 4e-07 -5.4e-06 ] [ -2.4e-06 1.6e-06 7e-06 ] [ -1.9e-06 8.8e-06 -2.4e-06 ] [ -2.7e-06 -1.01e-05 7.6e-06 ] [ 9.7e-06 1.68e-05 -8.4e-06 ] [ 7.6e-06 -3.7e-06 3e-06 ] [ -7.1e-06 -1.39e-05 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-15 6.408706483200001e-16 -8.65175375232e-15 ] [ -3.84522388992e-15 2.56348259328e-15 1.12152363456e-14 ] [ -3.04413557952e-15 1.409915426304e-14 -3.84522388992e-15 ] [ -4.32587687616e-15 -1.618198387008e-14 1.217654231808e-14 ] [ 1.554111322176e-14 2.691656722944e-14 -1.345828361472e-14 ] [ 1.217654231808e-14 -5.928053496960001e-15 4.8065298624e-15 ] [ -1.137545400768e-14 -2.227025502912e-14 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }