{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.0644806 -12.8874716 -0.5100221 ] [ -3.7118739 10.1947044 -6.5534571 ] [ -7.3064618 7.2001123 3.2463419 ] [ 5.0704409 -11.5876387 -2.1186378 ] [ 2.5986038 -2.2943803 0.7326299 ] [ 11.481102 11.4397861 -5.7403508 ] [ 2.9326696 -2.0651122 10.9434959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.772725213861516e-08 -2.064800569874397e-08 -8.171454847113198e-10 ] [ -5.947077581937717e-09 1.633371704564689e-08 -1.049979575103577e-08 ] [ -1.170624227672829e-08 1.153585159419452e-08 5.201213095303452e-09 ] [ 8.123741867128111e-09 -1.85654438154173e-08 -3.394431951103147e-09 ] [ 4.163422255082038e-09 -3.67600247588409e-09 1.173802497479042e-09 ] [ 1.839475320542012e-08 1.832855783637281e-08 -9.197055846950577e-09 ] [ 4.698654669650888e-09 -3.308674486168854e-09 1.753341328080066e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.157974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.86616197429426e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3692614 2.1026134 2.5980498 ] [ 3.5637269 3.660253 0.0559363 ] [ 2.3755304 4.0263344 3.8238728 ] [ 3.5094911 1.5477343 1.4459056 ] [ 5.1419645 2.4645474 3.0498751 ] [ 4.2207467 4.6224345 2.3013537 ] [ 3.9025659 2.6017361 5.2508899 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3692614e-10 2.1026134e-10 2.5980498e-10 ] [ 3.5637269e-10 3.660253e-10 5.59363e-12 ] [ 2.3755304e-10 4.0263344e-10 3.8238728e-10 ] [ 3.5094911e-10 1.5477343e-10 1.4459056e-10 ] [ 5.1419645e-10 2.4645474e-10 3.0498751e-10 ] [ 4.2207467e-10 4.6224345e-10 2.3013537e-10 ] [ 3.9025659e-10 2.6017361e-10 5.2508899e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.72e-05 1.7e-05 7e-06 ] [ -2.5e-06 7.2e-06 -1.82e-05 ] [ -3.03e-05 1.89e-05 2.09e-05 ] [ 8.5e-06 -8.6e-06 2.6e-06 ] [ 1.05e-05 2.8e-06 1.37e-05 ] [ -5.1e-06 -2.4e-05 -7.2e-06 ] [ 1.7e-06 -1.33e-05 -1.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.755743787776e-14 2.72370025536e-14 1.12152363456e-14 ] [ -4.005441552e-15 1.153567166976e-14 -2.915961449856e-14 ] [ -4.854595161024e-14 3.028113813312e-14 3.348549137472e-14 ] [ 1.36185012768e-14 -1.377871893888e-14 4.16565921408e-15 ] [ 1.68228545184e-14 4.48609453824e-15 2.194981970496e-14 ] [ -8.17110076608e-15 -3.84522388992e-14 -1.153567166976e-14 ] [ 2.72370025536e-15 -2.130894905664e-14 -2.996070280896e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }