{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6526452 0.4963366 -5.1076645 ] [ 3.6914047 -5.7594722 -0.7157052 ] [ 2.8379177 -0.9465239 4.4520947 ] [ -8.0286441 3.7441178 5.3461152 ] [ 2.06926 -7.7201843 -22.9788566 ] [ 2.7607557 15.7289624 0.0664514 ] [ 5.3219511 -5.5432364 18.937565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.386306584751734e-08 7.952188965673614e-10 -8.183380648790122e-09 ] [ 5.914282308251238e-09 -9.227691706987543e-09 -1.146686138824988e-09 ] [ 4.546845390694509e-09 -1.516498463608437e-09 7.13304204192759e-09 ] [ -1.286330587374386e-08 5.998738004681131e-09 8.565420785543516e-09 ] [ 3.315319994356608e-09 -1.236909879372721e-08 -3.681618681723578e-08 ] [ 4.423218238280338e-09 2.520057582672226e-08 1.064668794994291e-10 ] [ 8.526705629460843e-09 -8.881243763647556e-09 3.034132389788035e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.278657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.646822393862227e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0491163 3.1598291 1.8556804 ] [ 3.0917583 1.7075949 2.3934717 ] [ 1.9930796 2.7541296 4.4594678 ] [ 1.1278699 4.9433576 3.6096232 ] [ 3.4292403 3.899491 1.1080473 ] [ 3.3708492 5.6402933 2.9051841 ] [ 4.3732471 3.4936945 3.7118675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0491163e-10 3.1598291e-10 1.8556804e-10 ] [ 3.0917583e-10 1.7075949e-10 2.3934717e-10 ] [ 1.9930796e-10 2.7541296e-10 4.4594678e-10 ] [ 1.1278699e-10 4.9433576e-10 3.6096232e-10 ] [ 3.4292403e-10 3.899491e-10 1.1080473e-10 ] [ 3.3708492e-10 5.6402933e-10 2.9051841e-10 ] [ 4.3732471e-10 3.4936945e-10 3.7118675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.28e-05 1.02e-05 -7.9e-06 ] [ 1.4e-06 -3.2e-06 -6e-06 ] [ 3.6e-06 -2.61e-05 1.8e-05 ] [ 1.78e-05 -3.3e-06 6.6e-06 ] [ 2.35e-05 -7.1e-06 3.39e-05 ] [ -1.2e-05 4.09e-05 -3.34e-05 ] [ -2.15e-05 -1.15e-05 -1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.050786074624e-14 1.634220153216e-14 -1.265719530432e-14 ] [ 2.24304726912e-15 -5.126965186560001e-15 -9.6130597248e-15 ] [ 5.76783583488e-15 -4.181680980288e-14 2.88391791744e-14 ] [ 2.851874385024e-14 -5.28718284864e-15 1.057436569728e-14 ] [ 3.76511505888e-14 -1.137545400768e-14 5.431378744512e-14 ] [ -1.92261194496e-14 6.552902379072e-14 -5.351269913472e-14 ] [ -3.44467973472e-14 -1.84250311392e-14 -1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554916388474e-18 } }