{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -50.9691176 5.8954109 -38.6022002 ] [ -21.4532748 -23.2593544 60.8394893 ] [ 21.2735918 -34.2486644 -36.6721887 ] [ -6.8115625 61.7672657 -29.4619455 ] [ 57.9603632 -10.1546579 43.8968451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.16615286015258e-08 9.445489513989487e-09 -6.184754267188108e-08 ] [ -3.43719353241578e-08 -3.726559383458161e-08 9.747560737787174e-08 ] [ 3.408405142240259e-08 -5.487240939530526e-08 -5.875532336870594e-08 ] [ -1.0913326188618e-08 9.896206903528176e-08 -4.720324028338377e-08 ] [ 9.286273885211667e-08 -1.626955547960203e-08 7.033049894609904e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 49.506489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.931813925369238e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2734288 0.8896104 0.9287258 ] [ 0.7410087 0.1632914 3.2084827 ] [ 1.107362 -0.703056 -0.5873178 ] [ 1.8878523 2.6997542 1.1746681 ] [ 2.3560583 1.9728843 3.4540927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.734288e-11 8.896104e-11 9.287258000000001e-11 ] [ 7.410086999999999e-11 1.632914e-11 3.2084827e-10 ] [ 1.107362e-10 -7.030560000000001e-11 -5.873178000000001e-11 ] [ 1.8878523e-10 2.6997542e-10 1.1746681e-10 ] [ 2.3560583e-10 1.9728843e-10 3.4540927e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.62e-05 -1.6e-06 -1.23e-05 ] [ -2.9e-06 -7.3e-06 1.52e-05 ] [ -1.32e-05 -6.7e-06 -1.38e-05 ] [ -3.9e-06 7e-06 -8e-06 ] [ 3.8e-06 8.5e-06 1.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.595526125696e-14 -2.56348259328e-15 -1.970677243584e-14 ] [ -4.646312200320001e-15 -1.169588933184e-14 2.435308463616e-14 ] [ -2.114873139456e-14 -1.073458335936e-14 -2.211003736704e-14 ] [ -6.24848882112e-15 1.12152363456e-14 -1.28174129664e-14 ] [ 6.08827115904e-15 1.36185012768e-14 3.028113813312e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }