{ "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" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6760775 -4.8390569 -3.4319615 ] [ -11.077391 3.6041351 -4.4323333 ] [ -10.7918469 7.3588987 8.7409558 ] [ -6.5323463 -16.4678929 1.6277452 ] [ 17.4097326 11.593903 -10.2291144 ] [ 9.3157741 -1.2499869 7.7247083 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.685372185148912e-09 -7.753023831900924e-09 -5.498608478785699e-09 ] [ -1.774793687966033e-08 5.77446099542467e-09 -7.101380788853312e-09 ] [ -1.729044479843296e-08 1.179025545197551e-08 1.400455502620616e-08 ] [ -1.046597252082938e-08 -2.638447299821831e-08 2.60793530405942e-09 ] [ 2.78934665460996e-08 1.857548033042298e-08 -1.638884794316862e-08 ] [ 1.492551546767416e-08 -2.002699787486267e-09 1.237634704075971e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.399279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.82636583077764e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0939339 -0.6976789 2.2400896 ] [ 1.4423028 2.545914 -0.428022 ] [ 0.9181072 2.7919663 3.2304359 ] [ 1.1916002 -0.5473039 0.3824762 ] [ 3.2450292 3.0099827 -0.5610358 ] [ 2.7371573 2.4396162 3.0072839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0939339e-10 -6.976789e-11 2.2400896e-10 ] [ 1.4423028e-10 2.545914e-10 -4.28022e-11 ] [ 9.181072e-11 2.7919663e-10 3.2304359e-10 ] [ 1.1916002e-10 -5.473039e-11 3.824762e-11 ] [ 3.2450292e-10 3.0099827e-10 -5.610358e-11 ] [ 2.7371573e-10 2.4396162e-10 3.0072839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.9e-06 -6.73e-05 0.0001116 ] [ -9.61e-05 3.18e-05 -4.26e-05 ] [ 3.37e-05 -6.5e-06 -4.1e-06 ] [ -3.48e-05 -5.73e-05 -4.38e-05 ] [ 0.0001408 9.27e-05 -2.52e-05 ] [ -3.37e-05 6.5e-06 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.586154854592e-14 -1.0782648657984e-13 1.7880291088128e-13 ] [ -1.5396917325888e-13 5.094921654144e-14 -6.825272404608e-14 ] [ 5.399335212096e-14 -1.04141480352e-14 -6.568924145279999e-15 ] [ -5.575574640383999e-14 -9.180472037184001e-14 -7.017533599104001e-14 ] [ 2.2558646820864e-13 1.4852177274816e-13 -4.037485084416e-14 ] [ -5.399335212096e-14 1.04141480352e-14 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -32.352434 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431338077504e-18 } }