{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6423832 -1.8832892 0.6035238 ] [ -1.2300588 2.7117847 -1.7469743 ] [ -3.7769636 3.0427758 3.7379772 ] [ 1.4767989 -3.7261226 -2.4210875 ] [ 2.4978398 -2.7946247 3.5118639 ] [ 3.0322928 1.9301293 -3.4011501 ] [ 0.642474 0.7193466 -0.2841529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.23356458623469e-09 -3.017361926445136e-09 9.669517224563751e-10 ] [ -1.970771451569303e-09 4.344758046983142e-09 -2.798961380598445e-09 ] [ -6.051362777532603e-09 4.875064249096016e-09 5.988899678923446e-09 ] [ 2.366092671203157e-09 -5.969906515954511e-09 -3.87900978941112e-09 ] [ 4.001980530063747e-09 -4.477482358250214e-09 5.626626236011509e-09 ] [ 4.85826863158017e-09 3.092408039581069e-09 -5.449243174051583e-09 ] [ 1.029356822271859e-09 1.152520304771969e-09 -4.552631331125203e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.032646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.568713059076264e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4254088 1.5818369 2.9041338 ] [ 2.5183674 4.7267796 1.331761 ] [ 1.8067511 3.8593658 3.4144202 ] [ 3.5915222 1.213567 2.0293176 ] [ 4.9779112 1.9185491 3.8117879 ] [ 3.7546783 2.8940137 0.3722853 ] [ 3.7415991 3.7513298 4.7712461 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4254088e-10 1.5818369e-10 2.9041338e-10 ] [ 2.5183674e-10 4.726779600000001e-10 1.331761e-10 ] [ 1.8067511e-10 3.8593658e-10 3.4144202e-10 ] [ 3.5915222e-10 1.213567e-10 2.0293176e-10 ] [ 4.9779112e-10 1.9185491e-10 3.8117879e-10 ] [ 3.7546783e-10 2.8940137e-10 3.722853e-11 ] [ 3.7415991e-10 3.7513298e-10 4.7712461e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-07 -1.49e-05 -2.54e-05 ] [ -2.39e-05 8.6e-06 -5.7e-06 ] [ 4.66e-05 1.14e-05 1.38e-05 ] [ -2.21e-05 9.5e-06 2.1e-05 ] [ -8.2e-06 3.26e-05 -1.17e-05 ] [ 1.51e-05 -1.91e-05 1.19e-05 ] [ -7.1e-06 -2.82e-05 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-16 -2.387243164992e-14 -4.069528616832e-14 ] [ -3.829202123712e-14 1.377871893888e-14 -9.13240673856e-15 ] [ 7.466143052928e-14 1.826481347712e-14 2.211003736704e-14 ] [ -3.540810331968e-14 1.52206778976e-14 3.36457090368e-14 ] [ -1.313784829056e-14 5.223095783807999e-14 -1.874546646336e-14 ] [ 2.419286697408e-14 -3.060157345728e-14 1.906590178752e-14 ] [ -1.137545400768e-14 -4.518138070656001e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }