{ "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" [ [ -8.99610083557413e-09 -3.000298129281799e-09 -1.235956386183172e-08 ] [ 2.148301771260093e-09 2.920160778837714e-10 7.963561441155839e-09 ] [ 7.795864176357673e-09 -1.508752624991349e-08 -5.466447231424992e-10 ] [ -3.205915069782823e-09 1.672774031959894e-08 5.285777943509644e-09 ] [ 2.257850117956852e-09 1.06806798171257e-09 -3.431307996912636e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8600851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.388891420471553e-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" [ [ 1.5220678023e-14 3.845223921599999e-15 1.74637253106e-14 ] [ 2.082829624199999e-14 1.9226119608e-15 -2.75574381048e-14 ] [ -1.61819840034e-14 9.613059803999998e-16 9.452842140600001e-15 ] [ -1.77841606374e-14 0.0 -3.204353268e-16 ] [ -2.0828296242e-15 -6.568924199399999e-15 9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }