{ "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" [ [ 1.086446 2.17872 1.239282 ] [ 2.929314 1.55844 2.269162 ] [ 0.8330856 2.151385 3.328528 ] [ 0.5041522 4.058533 2.531522 ] [ 2.750614 3.605463 1.493085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086446e-10 2.17872e-10 1.239282e-10 ] [ 2.929314e-10 1.55844e-10 2.269162e-10 ] [ 8.330856e-11 2.151385e-10 3.328528e-10 ] [ 5.041522000000001e-11 4.058533e-10 2.531522e-10 ] [ 2.750614e-10 3.605463e-10 1.493085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9094561 -1.7564947 -3.6401219 ] [ 3.4083118 -3.1443397 0.6747899 ] [ -3.4728018 -3.6367381 5.6689888 ] [ -2.5220269 4.3091216 0.5213844 ] [ 4.495973 4.2284509 -3.2250412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.059285921863947e-09 -2.81421474289911e-09 -5.832118205042076e-09 ] [ 5.460717482356765e-09 -5.037787555193286e-09 1.08113260173197e-09 ] [ -5.564041852632158e-09 -5.826696759792613e-09 9.082721318937048e-09 ] [ -4.0407325362087e-09 6.90397388370429e-09 8.353498961298354e-10 ] [ 7.203342828348039e-09 6.77472517418072e-09 -5.167085611756778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2370484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.159502975007805e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7643177 1.9671932 0.7134208 ] [ 3.0348083 1.5576905 2.5146321 ] [ 0.7869781 1.9385675 3.6402268 ] [ 0.6348289 4.2349611 2.5594611 ] [ 2.8826788 3.8541286 1.4338382 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.643177e-11 1.9671932e-10 7.134208e-11 ] [ 3.0348083e-10 1.5576905e-10 2.5146321e-10 ] [ 7.869781e-11 1.9385675e-10 3.6402268e-10 ] [ 6.348289000000001e-11 4.2349611e-10 2.5594611e-10 ] [ 2.8826788e-10 3.8541286e-10 1.4338382e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.55e-05 -4.27e-05 -4.46e-05 ] [ 2.75e-05 1.09e-05 2.51e-05 ] [ -4.25e-05 -6.59e-05 5.34e-05 ] [ 3.82e-05 1.59e-05 -2.4e-05 ] [ 6.23e-05 8.17e-05 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.369861010784e-13 -6.841294170816001e-14 -7.145707728768e-14 ] [ 4.4059857072e-14 1.746372516672e-14 4.021463318208e-14 ] [ -6.8092506384e-14 -1.0558343931072e-13 8.555623155072e-14 ] [ 6.120314691456e-14 2.547460827072e-14 -3.84522388992e-14 ] [ 9.981560347584e-14 1.3089782991936e-13 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.743551 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.041741947817246e-18 } }