{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6149245 -1.8726388 -7.714233 ] [ 1.3408645 0.1822621 4.9704641 ] [ 4.8657957 -9.4168932 -0.3411888 ] [ -2.0009748 10.4406343 3.2991231 ] [ 1.4092392 0.6666356 -0.2141654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.99610076145713e-09 -3.000298104562967e-09 -1.235956376000385e-08 ] [ 2.148301753560682e-09 2.920160754779117e-10 7.963561375545714e-09 ] [ 7.79586411212917e-09 -1.50875261256105e-08 -5.46644718638807e-10 ] [ -3.205915043369956e-09 1.672774018178257e-08 5.285777899961221e-09 ] [ 2.257850099354896e-09 1.06806797291298e-09 -3.431307968642803e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8600851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.388891343118431e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.263486 2.0516731 -0.3058171 ] [ 1.5265386 1.7234472 3.2267926 ] [ 2.9010145 0.7776056 1.2452117 ] [ 1.8105828 3.7190352 1.5997085 ] [ 4.2773443 2.9698319 1.3464121 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263486e-10 2.0516731e-10 -3.058171e-11 ] [ 1.5265386e-10 1.7234472e-10 3.2267926e-10 ] [ 2.9010145e-10 7.776056e-11 1.2452117e-10 ] [ 1.8105828e-10 3.7190352e-10 1.5997085e-10 ] [ 4.2773443e-10 2.9698319e-10 1.3464121e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.5e-06 2.4e-06 1.09e-05 ] [ 1.3e-05 1.2e-06 -1.72e-05 ] [ -1.01e-05 6e-07 5.9e-06 ] [ -1.11e-05 -0.0 -2e-07 ] [ -1.3e-06 -4.1e-06 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.52206778976e-14 3.84522388992e-15 1.746372516672e-14 ] [ 2.08282960704e-14 1.92261194496e-15 -2.755743787776e-14 ] [ -1.618198387008e-14 9.6130597248e-16 9.45284206272e-15 ] [ -1.778416049088e-14 0.0 -3.2043532416e-16 ] [ -2.08282960704e-15 -6.568924145279999e-15 9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658081798169e-18 } }