{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.809753 -13.5695339 -24.8388333 ] [ -17.8491415 23.4149435 -4.4815498 ] [ -8.6294172 -1.0291929 14.3045385 ] [ 4.9494265 -24.6182932 13.590105 ] [ 19.6492434 -1.2508382 -12.5880397 ] [ 14.6896418 17.0529147 14.0137792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.052348677482266e-08 -2.174078996973304e-08 -3.979619800120852e-08 ] [ -2.859747721265105e-08 3.751487505305292e-08 -7.180234314510916e-09 ] [ -1.38258504889694e-08 -1.648948802673352e-09 2.29183971560335e-08 ] [ 7.929855424667973e-09 -3.944285380903962e-08 2.177374850521718e-08 ] [ 3.14815583918887e-08 -2.004063720443554e-09 -2.016826290904225e-08 ] [ 2.353540065988643e-08 2.732178124883665e-08 2.245254940329332e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.8643216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.099785558517245e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7765474 1.2152097 -0.2847364 ] [ 0.0085326 3.0706182 1.0266901 ] [ 0.6625751 1.8051517 3.2002826 ] [ 1.4305628 -0.0502742 1.8888646 ] [ 3.1590798 1.4948261 0.7147399 ] [ 2.3910911 3.3502506 2.0261612 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.765474000000001e-11 1.2152097e-10 -2.847364e-11 ] [ 8.532599999999999e-13 3.0706182e-10 1.0266901e-10 ] [ 6.625751e-11 1.8051517e-10 3.2002826e-10 ] [ 1.4305628e-10 -5.02742e-12 1.8888646e-10 ] [ 3.1590798e-10 1.4948261e-10 7.147399e-11 ] [ 2.3910911e-10 3.3502506e-10 2.0261612e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-05 -1.03e-05 -1.12e-05 ] [ 2.87e-05 3e-06 7.2e-06 ] [ 1.08e-05 -2.3e-06 -3.97e-05 ] [ -1.01e-05 -4.2e-05 1.66e-05 ] [ 1.72e-05 3.45e-05 2.6e-05 ] [ 1.4e-06 1.7e-05 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.69044777984e-14 -1.650241919424e-14 -1.794437815296e-14 ] [ 4.598246901696e-14 4.8065298624e-15 1.153567166976e-14 ] [ 1.730350750464e-14 -3.68500622784e-15 -6.360641184576e-14 ] [ -1.618198387008e-14 -6.72914180736e-14 2.659613190528e-14 ] [ 2.755743787776e-14 5.52750934176e-14 4.16565921408e-14 ] [ 2.24304726912e-15 2.72370025536e-14 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }