{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4394657 12.660994 43.5937508 ] [ -13.3314471 -7.9903989 -13.8700266 ] [ -3.2300207 9.3544863 -3.2032028 ] [ 7.1100783 -25.3790902 -22.2186312 ] [ -0.5901708 -1.3845829 -10.6769525 ] [ 15.4810261 12.7385917 6.3750624 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.714984774183507e-09 2.028514858288907e-08 6.98448883447413e-08 ] [ -2.135933286505196e-08 -1.280203030844604e-08 -2.222223234839411e-08 ] [ -5.175063650240051e-09 1.49875392494539e-08 -5.132096637841099e-09 ] [ 1.139160122431741e-08 -4.06617849756144e-08 -3.559817145481745e-08 ] [ -9.455578580388327e-10 -2.218346351939465e-09 -1.710636367689211e-08 ] [ 2.48033380834146e-08 2.040947380365693e-08 1.021397593342114e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9078244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.863201512671788e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7164686 2.8973444 5.4299748 ] [ 1.2763915 2.9066639 3.2339706 ] [ 2.2108708 5.2934445 2.6626442 ] [ 3.672875 1.4865482 3.3365031 ] [ 3.3101043 3.2055403 1.3511784 ] [ 4.3079748 4.1658487 3.770349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7164686e-10 2.8973444e-10 5.4299748e-10 ] [ 1.2763915e-10 2.9066639e-10 3.2339706e-10 ] [ 2.2108708e-10 5.2934445e-10 2.6626442e-10 ] [ 3.672875e-10 1.4865482e-10 3.3365031e-10 ] [ 3.3101043e-10 3.2055403e-10 1.3511784e-10 ] [ 4.3079748e-10 4.1658487e-10 3.770349e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.58e-05 -5e-05 -4.67e-05 ] [ 0.0001021 2.85e-05 3.73e-05 ] [ -4.29e-05 1.76e-05 -2.01e-05 ] [ -7.15e-05 5.13e-05 2.37e-05 ] [ 3.06e-05 -2.9e-05 -4.2e-06 ] [ -4.4e-05 -1.85e-05 1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.133615681664e-14 -8.010883104e-14 -7.482164819136e-14 ] [ 1.6358223298368e-13 4.56620336928e-14 5.976118795584e-14 ] [ -6.873337703232e-14 2.819830852608e-14 -3.220375007808e-14 ] [ -1.145556283872e-13 8.219166064704e-14 3.797158591296e-14 ] [ 4.902660459647999e-14 -4.64631220032e-14 -6.72914180736e-15 ] [ -7.04957713152e-14 -2.96402674848e-14 1.6021766208e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.864633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182665057337217e-18 } }