{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1335343 0.4167477 -0.4142526 ] [ -0.9145241 -0.3361025 1.0953399 ] [ -4.8841246 2.8282757 -4.4508386 ] [ 0.748717 0.4849599 -0.6454306 ] [ 0.3012977 -0.1478685 -1.3141961 ] [ 4.1521234 -2.9675759 4.5154837 ] [ 0.730045 -0.2784364 1.2138943 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.139455352975462e-10 6.677034272132417e-10 -6.637058362937485e-10 ] [ -1.465229144249879e-09 -5.38495572128985e-10 1.754927994067896e-09 ] [ -7.825230311664596e-09 4.531397241049993e-09 -7.131029606625271e-09 ] [ 1.199576882878578e-09 7.769914202069766e-10 -1.0340938261886e-09 ] [ 4.827321348179417e-10 -2.36911455604629e-10 -2.105574283913927e-09 ] [ 6.652435092964634e-09 -4.75458076660152e-09 7.234602475347865e-09 ] [ 1.16966104076853e-09 -4.461042941350775e-10 1.944873083605786e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.255230005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.924810296353324e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.798207 1.7086124 2.6045069 ] [ 2.4050004 2.2548599 4.7420824 ] [ 2.0902603 3.8787365 1.9153246 ] [ 2.7226576 4.4480394 4.1431191 ] [ 3.989327 1.3468898 2.0232545 ] [ 4.6217305 1.9161976 4.2510455 ] [ 4.3828703 3.6471064 2.6001241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.798207e-10 1.7086124e-10 2.6045069e-10 ] [ 2.4050004e-10 2.2548599e-10 4.742082400000001e-10 ] [ 2.0902603e-10 3.8787365e-10 1.9153246e-10 ] [ 2.7226576e-10 4.4480394e-10 4.1431191e-10 ] [ 3.989327e-10 1.3468898e-10 2.0232545e-10 ] [ 4.6217305e-10 1.9161976e-10 4.2510455e-10 ] [ 4.3828703e-10 3.6471064e-10 2.6001241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.4e-06 -8.1e-06 -1.34e-05 ] [ -1.09e-05 -6.2e-06 1.25e-05 ] [ 3e-06 1e-07 2.5e-06 ] [ -3.9e-06 2.71e-05 1.02e-05 ] [ 3.3e-06 -9.3e-06 -9.1e-06 ] [ 1.6e-05 -7.7e-06 1e-05 ] [ -1.1e-06 4.1e-06 -1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.02539304576e-14 -1.29776307354e-14 -2.14691668956e-14 ] [ -1.74637253106e-14 -9.9334951308e-15 2.0027207925e-14 ] [ 4.806529901999999e-15 1.602176634e-16 4.005441585e-15 ] [ -6.248488872599999e-15 4.34189867814e-14 1.63422016668e-14 ] [ 5.2871828922e-15 -1.49002426962e-14 -1.45798073694e-14 ] [ 2.5634826144e-14 -1.23367600818e-14 1.602176634e-14 ] [ -1.7623942974e-15 6.568924199399999e-15 -2.03476432518e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }