{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8082182 0.4906216 1.2812366 ] [ 0.5796586 0.4157467 -0.6210645 ] [ -0.7456369 0.4114776 -0.2914536 ] [ 3.8238772 -9.8678341 -3.5214256 ] [ -0.6260161 -1.8535253 2.1723553 ] [ -3.0093159 11.1746003 1.7607052 ] [ -0.8307851 -0.7710867 -0.7803534 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.294908315213539e-09 7.860624636556943e-10 2.052767343145604e-09 ] [ 9.287154646171523e-10 6.660996484026077e-10 -9.950550301068929e-10 ] [ -1.194642018628195e-09 6.592597961343984e-10 -4.669601478151823e-10 ] [ 6.126526701125344e-09 -1.581001322320842e-08 -5.641945814689431e-09 ] [ -1.002988367927807e-09 -2.96967492618784e-09 3.48049690240606e-09 ] [ -4.821455619304679e-09 1.790368349494939e-08 2.820960730802297e-09 ] [ -1.331064475095353e-09 -1.235417093528168e-09 -1.250263983742455e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.145723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.907265339763638e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8860418 2.0089398 1.3895284 ] [ 3.4644212 0.6470006 2.5418484 ] [ 1.8655944 3.4472129 3.2882004 ] [ 5.1914729 2.252221 2.1331646 ] [ 3.8217973 2.3767245 4.1564116 ] [ 4.0096877 4.322026 2.6848356 ] [ 3.7186146 3.2787822 0.5509708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8860418e-10 2.0089398e-10 1.3895284e-10 ] [ 3.4644212e-10 6.470006e-11 2.5418484e-10 ] [ 1.8655944e-10 3.4472129e-10 3.2882004e-10 ] [ 5.1914729e-10 2.252221e-10 2.1331646e-10 ] [ 3.8217973e-10 2.3767245e-10 4.1564116e-10 ] [ 4.0096877e-10 4.322026e-10 2.6848356e-10 ] [ 3.7186146e-10 3.2787822e-10 5.509708e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 -3.5e-06 -6.8e-06 ] [ 4e-06 -1.24e-05 9.7e-06 ] [ 1.9e-06 1.41e-05 5.4e-06 ] [ -2.3e-06 1.31e-05 -1.7e-06 ] [ 4.3e-06 -5e-06 -3.7e-06 ] [ -6.3e-06 -7.2e-06 8.9e-06 ] [ 1.27e-05 9e-07 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.29111258662e-14 -5.607618218999999e-15 -1.08948011112e-14 ] [ 6.408706535999999e-15 -1.98669902616e-14 1.55411133498e-14 ] [ 3.0441356046e-15 2.25906905394e-14 8.6517538236e-15 ] [ -3.685006258199999e-15 2.09885139054e-14 -2.7237002778e-15 ] [ 6.8893595262e-15 -8.010883169999999e-15 -5.9280535458e-15 ] [ -1.00937127942e-14 -1.15356717648e-14 1.42593720426e-14 ] [ 2.03476432518e-14 1.4419589706e-15 -1.90659019446e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }