{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2516806 1.8718445 -9.1908764 ] [ -3.493741 -1.5029474 1.2490753 ] [ -4.1035996 4.4446425 1.7605973 ] [ 2.4527402 -2.9244816 -2.5265388 ] [ 1.067348 -6.2652024 6.0644758 ] [ 7.6207267 3.364128 1.1353863 ] [ -0.2917937 1.0120165 1.5078804 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.209766635628916e-09 2.999025495673065e-09 -1.472540729274247e-08 ] [ -5.597590149330413e-09 -2.407987186572146e-09 2.001239243278747e-09 ] [ -6.574691340244231e-09 7.121102301314063e-09 2.820787832703604e-09 ] [ 3.929723005336316e-09 -4.685536047479777e-09 -4.047961396904087e-09 ] [ 1.710080011857638e-09 -1.003796080986005e-08 9.716361344167377e-09 ] [ 1.220975015224634e-08 5.389927230978663e-09 1.819089385436615e-09 ] [ -4.675050442367289e-10 1.621429176163843e-09 2.415890723842552e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5957932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.377197890227162e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.633656 3.020572 1.1296462 ] [ 1.0043789 1.6180499 3.6018394 ] [ 1.6829008 3.7493963 3.0619435 ] [ 4.234215 1.6405762 1.9679277 ] [ 3.2107515 1.1030258 4.0014034 ] [ 5.2852582 3.3986176 3.0163133 ] [ 3.5174645 3.4741522 4.4867495 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.633656e-10 3.020572e-10 1.1296462e-10 ] [ 1.0043789e-10 1.6180499e-10 3.6018394e-10 ] [ 1.6829008e-10 3.7493963e-10 3.0619435e-10 ] [ 4.234215e-10 1.6405762e-10 1.9679277e-10 ] [ 3.2107515e-10 1.1030258e-10 4.0014034e-10 ] [ 5.2852582e-10 3.3986176e-10 3.016313300000001e-10 ] [ 3.5174645e-10 3.4741522e-10 4.4867495e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-06 -5.8e-06 1.17e-05 ] [ -9.3e-06 -6.7e-06 6.3e-06 ] [ 1.38e-05 6e-07 -1.08e-05 ] [ -8.3e-06 -2.1e-06 4e-06 ] [ -1.81e-05 8.9e-06 -9e-07 ] [ 2.34e-05 3.4e-05 -1.07e-05 ] [ -3.2e-06 -2.88e-05 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.72370025536e-15 -9.292624400640001e-15 1.874546646336e-14 ] [ -1.490024257344e-14 -1.073458335936e-14 1.009371271104e-14 ] [ 2.211003736704e-14 9.6130597248e-16 -1.730350750464e-14 ] [ -1.329806595264e-14 -3.36457090368e-15 6.4087064832e-15 ] [ -2.899939683648e-14 1.425937192512e-14 -1.44195895872e-15 ] [ 3.749093292672001e-14 5.44740051072e-14 -1.714328984256e-14 ] [ -5.126965186560001e-15 -4.614268667904e-14 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }