{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7671929 -1.8371998 -6.1556593 ] [ -6.1444118 2.7513617 -2.0783621 ] [ 0.6819291 -3.450033 6.9006458 ] [ -2.9061891 3.969954 -4.2333799 ] [ 0.2848971 -0.2175162 0.4264439 ] [ 4.7305048 0.7472876 -1.0166779 ] [ 1.586077 -1.9638543 6.1569895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.831355172150698e-09 -2.943518591549473e-09 -9.862453497324795e-09 ] [ -9.84443301563388e-09 4.408167427422517e-09 -3.329903193611171e-09 ] [ 1.092570870064649e-09 -5.527562259128922e-09 1.105605346027024e-08 ] [ -4.656228270005489e-09 6.360567536854835e-09 -6.782622358625256e-09 ] [ 4.564554767143614e-10 -3.484993731564707e-10 6.832384522918325e-10 ] [ 7.579104257584843e-09 1.197286731597938e-09 -1.628897575684188e-09 ] [ 2.541175509124818e-09 -3.146441472040426e-09 9.864584712683342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.621765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.541576706083901e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1187033 2.5584646 0.042077 ] [ 0.8827804 1.2454643 1.462079 ] [ 1.3975661 0.7090185 3.6335033 ] [ 4.4699906 4.5447227 2.7559398 ] [ 3.4594908 0.8521731 4.6313874 ] [ 3.7845127 4.0245714 0.6281662 ] [ 3.336456 4.1202545 4.7060013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1187033e-10 2.558464600000001e-10 4.2077e-12 ] [ 8.827804000000001e-11 1.2454643e-10 1.462079e-10 ] [ 1.3975661e-10 7.090185e-11 3.6335033e-10 ] [ 4.4699906e-10 4.544722700000001e-10 2.7559398e-10 ] [ 3.4594908e-10 8.521731e-11 4.6313874e-10 ] [ 3.7845127e-10 4.0245714e-10 6.281662000000001e-11 ] [ 3.336456e-10 4.1202545e-10 4.7060013e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.43e-05 5.8e-06 1.26e-05 ] [ -2.01e-05 1.85e-05 -5.7e-06 ] [ 5.3e-06 3.32e-05 -2.69e-05 ] [ -1.8e-05 -2.55e-05 1.25e-05 ] [ 4.31e-05 5.7e-06 1.19e-05 ] [ -3.23e-05 -3.16e-05 -6.7e-06 ] [ -1.23e-05 -6.1e-06 2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.49546585462e-14 9.2926244772e-15 2.01874255884e-14 ] [ -3.22037503434e-14 2.9640267729e-14 -9.1324068138e-15 ] [ 8.4915361602e-15 5.31922642488e-14 -4.309855145459999e-14 ] [ -2.8839179412e-14 -4.0855504167e-14 2.0027207925e-14 ] [ 6.90538129254e-14 9.1324068138e-15 1.90659019446e-14 ] [ -5.17503052782e-14 -5.06287816344e-14 -1.07345834478e-14 ] [ -1.97067725982e-14 -9.773277467399999e-15 3.685006258199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.995529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.562766281226938e-18 } }