{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.517573 0.0564091 0.4384727 ] [ -2.8331894 -4.1474355 3.3216353 ] [ 0.6676724 4.8002315 -3.1232636 ] [ 1.1338364 -1.2726851 -0.1135086 ] [ 0.4924448 -0.3714172 0.1715751 ] [ -1.7604738 0.2570997 2.1064528 ] [ 1.7821366 0.6777975 -2.8013637 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.292433601573184e-10 9.037734122036928e-11 7.025107087990522e-10 ] [ -4.53926981897838e-09 -6.644924194375959e-09 5.321846420483995e-09 ] [ 1.069729109633426e-09 7.690818683727716e-09 -5.004019920515643e-09 ] [ 1.816606171892037e-09 -2.03906631286051e-09 -1.818608251797389e-10 ] [ 7.889835455945319e-10 -5.950759544029979e-10 2.748936139314221e-10 ] [ -2.820589963890935e-09 4.119191285546937e-10 3.374909428978698e-09 ] [ 2.855297595592002e-09 1.085951308136688e-09 -4.488279426497785e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.226188158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.975453104937723e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9911477 1.3203587 1.4887731 ] [ 1.9360651 1.7490174 3.6335763 ] [ 2.916359 3.5952602 2.454144 ] [ 5.0655487 2.5743031 1.9758472 ] [ 4.2714306 2.6968621 4.3032713 ] [ 3.4642991 0.6239946 5.1012777 ] [ 4.6588338 0.4555685 3.0276205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9911477e-10 1.3203587e-10 1.4887731e-10 ] [ 1.9360651e-10 1.7490174e-10 3.6335763e-10 ] [ 2.916359e-10 3.5952602e-10 2.454144e-10 ] [ 5.065548700000001e-10 2.5743031e-10 1.9758472e-10 ] [ 4.271430600000001e-10 2.6968621e-10 4.3032713e-10 ] [ 3.4642991e-10 6.239946e-11 5.1012777e-10 ] [ 4.6588338e-10 4.555685e-11 3.0276205e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.85e-05 -5.6e-06 1.46e-05 ] [ 1.81e-05 1.53e-05 -4.67e-05 ] [ -1e-07 1.64e-05 3.44e-05 ] [ 5.5e-06 -4.15e-05 1.07e-05 ] [ -3.93e-05 -5.8e-06 -2.65e-05 ] [ 1.59e-05 -7.4e-06 3.43e-05 ] [ 1.83e-05 2.86e-05 -2.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.96402674848e-14 -8.972189076479999e-15 2.339177866368e-14 ] [ 2.899939683648e-14 2.451330229824e-14 -7.482164819136e-14 ] [ -1.6021766208e-16 2.627569658112e-14 5.511487575552001e-14 ] [ 8.8119714144e-15 -6.64903297632e-14 1.714328984256e-14 ] [ -6.296554119743999e-14 -9.292624400640001e-15 -4.24576804512e-14 ] [ 2.547460827072e-14 -1.185610699392e-14 5.495465809344e-14 ] [ 2.931983216064e-14 4.582225135488e-14 -3.332527371264e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }