{ "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" [ [ -0.9201774 -0.3213144 -0.4153848 ] [ 0.0428811 -0.3491665 0.4109686 ] [ 1.131445 0.6543932 -0.379275 ] [ -1.3352594 0.4226341 1.0100479 ] [ 0.7459968 -1.7231857 -3.7376873 ] [ 0.467457 2.2402314 0.4896399 ] [ -0.1323431 -0.9235921 2.6216907 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.474286729414871e-09 -5.148024238477295e-10 -6.655198206787631e-10 ] [ 6.87030964602174e-11 -5.594264076755609e-10 6.584442882276923e-10 ] [ 1.81277474165613e-09 1.048453494488489e-09 -6.076655428603499e-10 ] [ -2.13932141100886e-09 6.771344797516194e-10 1.618275144600768e-09 ] [ 1.195218641998771e-09 -2.760847864582933e-09 -5.988435257258547e-09 ] [ 7.489486827997378e-10 3.589246403833107e-09 7.844896068540965e-10 ] [ -2.120370224911254e-10 -1.479757681966991e-09 4.200411581115104e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.573193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.296188911137236e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5592375 3.0810081 2.0640808 ] [ 2.5693984 1.9868745 2.0137636 ] [ 2.3747475 2.7494403 4.2534769 ] [ 1.2293025 4.7010995 3.5360627 ] [ 4.1448721 3.6263466 1.5901796 ] [ 3.2002169 5.5396569 2.6632843 ] [ 4.3573858 3.9139641 3.9224941 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.592375000000001e-11 3.0810081e-10 2.0640808e-10 ] [ 2.5693984e-10 1.9868745e-10 2.0137636e-10 ] [ 2.3747475e-10 2.7494403e-10 4.2534769e-10 ] [ 1.2293025e-10 4.7010995e-10 3.5360627e-10 ] [ 4.1448721e-10 3.6263466e-10 1.5901796e-10 ] [ 3.2002169e-10 5.5396569e-10 2.6632843e-10 ] [ 4.357385800000001e-10 3.9139641e-10 3.9224941e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.18e-05 4.11e-05 -7.06e-05 ] [ 1.75e-05 -1.63e-05 4.53e-05 ] [ 2.76e-05 -2.89e-05 5.16e-05 ] [ 2.82e-05 -9.4e-06 2.49e-05 ] [ -2.04e-05 6.3e-05 4.64e-05 ] [ 1e-07 -2.95e-05 -4.84e-05 ] [ -3.11e-05 -2e-05 -4.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.492745062119999e-14 6.58494596574e-14 -1.131136703604e-13 ] [ 2.8038091095e-14 -2.61154791342e-14 7.25786015202e-14 ] [ 4.42200750984e-14 -4.63029047226e-14 8.267231431439999e-14 ] [ 4.51813810788e-14 -1.50604603596e-14 3.989419818659999e-14 ] [ -3.26844033336e-14 1.00937127942e-13 7.43409958176e-14 ] [ 1.602176634e-16 -4.726421070299999e-14 -7.754534908559998e-14 ] [ -4.982769331739999e-14 -3.204353268e-14 -7.89873080562e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629094044303e-18 } }