{ "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" [ [ 0.8164278 0.1663691 0.8726527 ] [ 0.2293415 1.783801 2.502887 ] [ 2.371717 0.4239938 0.3261347 ] [ 1.905698 2.704881 0.8462502 ] [ 2.020767 2.181943 2.752956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.164278e-11 1.663691e-11 8.726527e-11 ] [ 2.293415e-11 1.783801e-10 2.502887e-10 ] [ 2.371717e-10 4.239938e-11 3.261347e-11 ] [ 1.905698e-10 2.704881e-10 8.462502e-11 ] [ 2.020767e-10 2.181943e-10 2.752956e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -536.0403118 -82.8893567 192.1426371 ] [ -112.0624535 -27.1865365 -21.6412052 ] [ 535.4456846 93.7585285 -185.9417677 ] [ -5.0154159 2.5857974 -34.4680975 ] [ 117.6724966 13.7315673 49.9084332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.588312553723024e-07 -1.328033894178918e-07 3.078464410204787e-07 ] [ -1.795438430671872e-07 -4.355763318082586e-08 -3.467303301737539e-08 ] [ 8.578785575743707e-07 1.502177223633105e-07 -2.979115530391646e-07 ] [ -8.03558209856859e-09 4.142904140405426e-09 -5.522397997795493e-08 ] [ 1.885321229636875e-07 2.200039609500178e-08 7.996212485379853e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 59.773018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.576693199425757e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7997119 0.3868734 1.2052127 ] [ 0.068014 2.1091856 2.3909924 ] [ 2.8695663 0.7952099 0.5293597 ] [ 1.4080595 2.4548667 0.6610805 ] [ 2.1985995 1.5148523 2.5142353 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.997119000000001e-11 3.868734e-11 1.2052127e-10 ] [ 6.8014e-12 2.1091856e-10 2.3909924e-10 ] [ 2.8695663e-10 7.952099e-11 5.293597e-11 ] [ 1.4080595e-10 2.454866700000001e-10 6.610805e-11 ] [ 2.1985995e-10 1.5148523e-10 2.5142353e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 1.84e-05 8.2e-06 ] [ 4.8e-06 -9e-06 1.1e-05 ] [ 2e-05 -1e-05 -1.67e-05 ] [ 6e-06 -9.9e-06 6.3e-06 ] [ -3.05e-05 1.05e-05 -8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 2.948004982272e-14 1.313784829056e-14 ] [ 7.69044777984e-15 -1.44195895872e-14 1.76239428288e-14 ] [ 3.2043532416e-14 -1.6021766208e-14 -2.675634956736e-14 ] [ 9.6130597248e-15 -1.586154854592e-14 1.009371271104e-14 ] [ -4.88663869344e-14 1.68228545184e-14 -1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }