{ "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" [ [ 0.049795 0.7119441 0.3423404 ] [ 0.1447331 1.623908 1.772641 ] [ 2.54973 0.1092944 1.824085 ] [ 1.77811 2.382187 0.8238028 ] [ 2.019176 2.140924 2.983896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.9795e-12 7.119441e-11 3.423404e-11 ] [ 1.447331e-11 1.623908e-10 1.772641e-10 ] [ 2.54973e-10 1.092944e-11 1.824085e-10 ] [ 1.77811e-10 2.382187e-10 8.238028e-11 ] [ 2.019176e-10 2.140924e-10 2.983896e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8477904 -16.4793342 -24.4419838 ] [ -6.8970796 11.9712901 27.7719312 ] [ -1.4312533 0.4200987 -0.861516 ] [ 6.8900389 3.6919709 -7.2547221 ] [ 2.2860844 0.3959745 4.7862907 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.358309969409514e-09 -2.640280419911708e-08 -3.916037533296653e-08 ] [ -1.105033977795807e-08 1.918012127705552e-08 4.449553924969558e-08 ] [ -2.293120594595392e-09 6.730723211137757e-10 -1.380300805017144e-09 ] [ 1.103905933293106e-08 5.915189509387949e-09 -1.162334623478341e-08 ] [ 3.662711009031909e-09 6.34421091559833e-10 7.668483123071505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4679457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.158438202520772e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3757692 0.532764 0.0244657 ] [ 0.0176854 1.5890758 2.2283001 ] [ 2.0786805 0.1604715 1.7744375 ] [ 1.8285611 2.4314054 0.6453223 ] [ 2.2408479 2.2545408 3.0742395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.757692000000001e-11 5.327640000000001e-11 2.44657e-12 ] [ 1.76854e-12 1.5890758e-10 2.2283001e-10 ] [ 2.0786805e-10 1.604715e-11 1.7744375e-10 ] [ 1.8285611e-10 2.4314054e-10 6.453223e-11 ] [ 2.2408479e-10 2.2545408e-10 3.0742395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-06 -2.1e-06 2.3e-06 ] [ 5.5e-06 4e-06 -1e-07 ] [ -2.5e-06 3e-06 -3e-07 ] [ -5e-06 1.4e-06 -6.1e-06 ] [ -2e-06 -6.3e-06 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.248488872599999e-15 -3.364570931399999e-15 3.685006258199999e-15 ] [ 8.811971486999999e-15 6.408706535999999e-15 -1.602176634e-16 ] [ -4.005441585e-15 4.806529901999999e-15 -4.806529901999999e-16 ] [ -8.010883169999999e-15 2.2430472876e-15 -9.773277467399999e-15 ] [ -3.204353268e-15 -1.00937127942e-14 6.729141862799999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.29999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291110984443366e-18 } }