{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4095606 -23.7477561 6.66987 ] [ -15.186434 22.6354056 -5.0663154 ] [ -0.7513979 0.9919305 2.2973427 ] [ -0.4317687 0.1617 -0.8092389 ] [ 14.498594 -0.1949413 -3.49305 ] [ 0.4614461 0.1536613 0.4013916 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.25836505752702e-09 -3.804809993335096e-08 1.068630986581758e-08 ] [ -2.433134970858315e-08 3.626591795343274e-08 -8.117132154354362e-09 ] [ -1.203872158216668e-09 1.589247869651937e-09 3.680748794230472e-09 ] [ -6.917697224325557e-10 2.590719617178e-10 -1.296543656903862e-09 ] [ 2.322930853265259e-08 -3.123303958615842e-10 -5.5964830913937e-09 ] [ 7.393181592704273e-10 2.461925444100642e-10 6.431002426038743e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -2.598233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.162828202287722e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4897563 0.6649023 1.2325682 ] [ 0.52663 2.9247598 0.8082976 ] [ -0.6165137 4.3714744 2.1825318 ] [ 1.7932317 -0.4701113 2.7427179 ] [ 1.7066725 3.7378992 -0.9901976 ] [ 3.3554724 0.4337929 4.1605204 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.897563e-11 6.649023e-11 1.2325682e-10 ] [ 5.266300000000001e-11 2.9247598e-10 8.082976e-11 ] [ -6.165137e-11 4.371474400000001e-10 2.1825318e-10 ] [ 1.7932317e-10 -4.701113e-11 2.7427179e-10 ] [ 1.7066725e-10 3.7378992e-10 -9.901976e-11 ] [ 3.3554724e-10 4.337929e-11 4.1605204e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.18e-05 1.87e-05 -7e-07 ] [ 2.16e-05 7.9e-06 -3e-07 ] [ -2.2e-06 -1.21e-05 1.2e-06 ] [ -2.36e-05 -4.74e-05 -1.6e-05 ] [ -3.9e-06 -2.9e-06 2.1e-06 ] [ 1.98e-05 3.59e-05 1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.89056842812e-14 2.99607030558e-14 -1.1215236438e-15 ] [ 3.46070152944e-14 1.26571954086e-14 -4.806529901999999e-16 ] [ -3.5247885948e-15 -1.93863372714e-14 1.9226119608e-15 ] [ -3.78113685624e-14 -7.59431724516e-14 -2.5634826144e-14 ] [ -6.248488872599999e-15 -4.6463122386e-15 3.364570931399999e-15 ] [ 3.17230973532e-14 5.751814116059999e-14 2.19498198858e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.241847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.1215777854403e-18 } }