{ "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" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.0794094 -18.1627879 4.8193569 ] [ -8.0425778 6.9917469 -17.586006 ] [ 6.2670335 15.5563465 19.3023609 ] [ 6.0228261 -5.9056312 -4.6254107 ] [ 2.8321277 1.5203257 -1.9103011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.134246432319996e-08 -2.909999438167793e-08 7.721461016086674e-09 ] [ -1.288563022828712e-08 1.120201351402193e-08 -2.81758878985838e-08 ] [ 1.004089463819524e-08 2.492401487270768e-08 3.092579161501521e-08 ] [ 9.649631248065345e-09 -9.46186431766138e-09 -7.410724946193583e-09 ] [ 4.537568825444162e-09 2.435830312609693e-09 -3.060639786324497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.1274058 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.806303229796077e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0185184 -0.0119433 2.8618968 ] [ 0.5977696 3.3762588 1.2893043 ] [ -0.0046989 2.0594368 3.105938 ] [ 2.2534001 0.0247058 0.8944428 ] [ 1.9933636 2.1187235 -0.0774694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0185184e-10 -1.19433e-12 2.8618968e-10 ] [ 5.977696e-11 3.3762588e-10 1.2893043e-10 ] [ -4.6989e-13 2.0594368e-10 3.105938e-10 ] [ 2.2534001e-10 2.47058e-12 8.944428e-11 ] [ 1.9933636e-10 2.1187235e-10 -7.74694e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.42e-05 1.11e-05 -1.32e-05 ] [ 1.22e-05 -1.13e-05 4.8e-06 ] [ -1.77e-05 2.7e-06 5.7e-06 ] [ -4.9e-06 -1.22e-05 9.5e-06 ] [ -3.8e-06 9.8e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.27509082028e-14 1.77841606374e-14 -2.11487315688e-14 ] [ 1.95465549348e-14 -1.81045959642e-14 7.690447843199998e-15 ] [ -2.83585264218e-14 4.3258769118e-15 9.1324068138e-15 ] [ -7.850665506599998e-15 -1.95465549348e-14 1.5220678023e-14 ] [ -6.088271209199999e-15 1.57013310132e-14 -1.08948011112e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }