{ "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" [ [ 2.93382 1.245152 2.813835 ] [ 2.031103 3.253162 4.119437 ] [ 5.029042 2.355016 2.700294 ] [ 3.923156 2.081195 4.901301 ] [ 3.286942 3.48059 1.880825 ] [ 4.655074 4.019286 4.063597 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.93382e-10 1.245152e-10 2.813835e-10 ] [ 2.031103e-10 3.253162e-10 4.119437e-10 ] [ 5.029042e-10 2.355016e-10 2.700294e-10 ] [ 3.923156e-10 2.081195e-10 4.901301000000001e-10 ] [ 3.286942e-10 3.48059e-10 1.880825e-10 ] [ 4.655074e-10 4.019286e-10 4.063597e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5685758 -3.6261241 -0.8667099 ] [ -2.6878396 1.4079293 0.1645006 ] [ 6.7110531 -4.2935895 -3.165564 ] [ 0.2354711 -3.9113203 4.8798676 ] [ -3.2011666 3.3040212 -3.5017031 ] [ 1.5110576 7.1190834 2.4896087 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.115312095512657e-09 -5.809691257139442e-09 -1.388622338795906e-09 ] [ -4.306393767580424e-09 2.255751408199309e-09 2.635590154275725e-10 ] [ 1.075229237776736e-08 -6.879088716212362e-09 -5.07179263244613e-09 ] [ 3.772662912940589e-10 -6.266625941120442e-09 7.818409781319406e-09 ] [ -5.128834285805826e-09 5.293625521267561e-09 -5.610346839802885e-09 ] [ 2.420981159402158e-09 1.140602898500538e-08 3.988792854080281e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.046724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.609662630843026e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7956792 1.1886311 2.7808725 ] [ 2.0167572 3.3328407 4.1371933 ] [ 5.2696219 2.145292 2.6892371 ] [ 4.0412349 1.8641056 5.0250457 ] [ 3.2451453 3.6140271 1.8013839 ] [ 4.4906984 4.2895046 4.0455565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7956792e-10 1.1886311e-10 2.7808725e-10 ] [ 2.0167572e-10 3.3328407e-10 4.1371933e-10 ] [ 5.2696219e-10 2.145292e-10 2.6892371e-10 ] [ 4.0412349e-10 1.8641056e-10 5.0250457e-10 ] [ 3.2451453e-10 3.6140271e-10 1.8013839e-10 ] [ 4.4906984e-10 4.2895046e-10 4.0455565e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 -3.15e-05 -3.2e-06 ] [ -4.7e-06 2.38e-05 -7.1e-06 ] [ 5.6e-06 -1.82e-05 8.3e-06 ] [ 1.13e-05 -1.16e-05 -4.5e-06 ] [ -1.49e-05 2.07e-05 1.2e-06 ] [ -2.3e-06 1.68e-05 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-15 -5.04685635552e-14 -5.126965186560001e-15 ] [ -7.53023011776e-15 3.813180357504e-14 -1.137545400768e-14 ] [ 8.972189076479999e-15 -2.915961449856e-14 1.329806595264e-14 ] [ 1.810459581504e-14 -1.858524880128e-14 -7.2097947936e-15 ] [ -2.387243164992e-14 3.316505605055999e-14 1.92261194496e-15 ] [ -3.68500622784e-15 2.691656722944e-14 8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.137731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104896545855941e-18 } }