{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.047673 1.456203 2.59416 ] [ 0.648425 2.408552 0.8864435 ] [ 2.028254 0.9559849 0.3097335 ] [ 1.556479 0.0798405 1.221415 ] [ 2.621496 2.506538 1.825694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.047673e-10 1.456203e-10 2.59416e-10 ] [ 6.48425e-11 2.408552e-10 8.864435000000001e-11 ] [ 2.028254e-10 9.559849e-11 3.097335e-11 ] [ 1.556479e-10 7.98405e-12 1.221415e-10 ] [ 2.621496e-10 2.506538e-10 1.825694e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8164064 -3.2514951 11.1532136 ] [ -5.3392006 6.0237022 -5.8819569 ] [ 46.0230735 78.456183 -85.7653985 ] [ -42.9746997 -85.2272455 81.3605377 ] [ 6.1072332 3.9988555 -0.8663958 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.114557109551493e-09 -5.209469431865758e-09 1.786941807670861e-08 ] [ -8.554342375081333e-09 9.651034835501526e-09 -9.423933829733243e-09 ] [ 7.373709237906004e-08 1.257006621598064e-07 -1.374113163502954e-07 ] [ -6.885305914524078e-08 -1.36549100195282e-07 1.30353951358657e-07 ] [ 9.784866250813571e-09 6.406872792057494e-09 -1.388119095119313e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 15.047883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.410936633513377e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0195968 1.5038887 3.0697401 ] [ 0.5657686 2.1466463 0.8493096 ] [ 2.4887844 1.2311751 -0.1573253 ] [ 1.1938967 -0.0076227 1.3173294 ] [ 2.6342805 2.533031 1.7583922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0195968e-10 1.5038887e-10 3.069740100000001e-10 ] [ 5.657686e-11 2.1466463e-10 8.493096000000001e-11 ] [ 2.4887844e-10 1.2311751e-10 -1.573253e-11 ] [ 1.1938967e-10 -7.622699999999999e-13 1.3173294e-10 ] [ 2.6342805e-10 2.533031e-10 1.7583922e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.07e-05 -6.61e-05 -9.85e-05 ] [ -4.45e-05 3.19e-05 6.3e-06 ] [ 4.58e-05 -1.15e-05 6.06e-05 ] [ -7.65e-05 -2.56e-05 4.03e-05 ] [ 4.6e-06 7.13e-05 -8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1327388709056e-13 -1.0590387463488e-13 -1.578143971488e-13 ] [ -7.129685962560001e-14 5.110943420352001e-14 1.009371271104e-14 ] [ 7.337968923264e-14 -1.84250311392e-14 9.709190322048001e-14 ] [ -1.225665114912e-13 -4.101572149248001e-14 6.456771781824e-14 ] [ 7.370012455680001e-15 1.1423519306304e-13 -1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247308174621e-18 } }