{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -79.3929942 8.6282343 66.3888179 ] [ 9.3819147 -4.8609435 -5.5249515 ] [ 47.0011167 -222.8580785 12.7505504 ] [ 3851.3226481 -154.7324746 1783.5519028 ] [ -3828.3126853 373.8232623 -1857.1663195 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.272016002105375e-07 1.382395538813735e-08 1.063666127982609e-07 ] [ 1.503148451452112e-08 -7.788090094894179e-09 -8.85194819728325e-09 ] [ 7.530409094864717e-08 -3.570580060708378e-07 2.042863392151935e-08 ] [ 6.170499156780824e-06 -2.479087553251184e-07 2.857565184192399e-06 ] [ -6.133633132033455e-06 5.98930896102713e-07 -2.975508482554678e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 941.61119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.508627446930934e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.9885617 0.2569523 3.207196 ] [ -0.2941862 2.0570292 2.0068926 ] [ 3.2415582 0.0442436 2.1093705 ] [ 3.3514781 1.713417 0.231015 ] [ 1.1658112 2.9564798 0.1668253 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.885617000000001e-11 2.569523e-11 3.207196e-10 ] [ -2.941862e-11 2.0570292e-10 2.0068926e-10 ] [ 3.2415582e-10 4.42436e-12 2.1093705e-10 ] [ 3.3514781e-10 1.713417e-10 2.31015e-11 ] [ 1.1658112e-10 2.9564798e-10 1.668253e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.54e-05 -2.38e-05 3.1e-06 ] [ 1.39e-05 -3.3e-06 -3.06e-05 ] [ -6.56e-05 2.67e-05 3.87e-05 ] [ -4.37e-05 3.34e-05 -5.56e-05 ] [ 6e-05 -3.3e-05 4.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.671705284359999e-14 -3.81318038892e-14 4.9667475654e-15 ] [ 2.22702552126e-14 -5.2871828922e-15 -4.90266050004e-14 ] [ -1.051027871904e-13 4.277811612779999e-14 6.200423573579999e-14 ] [ -7.001511890579999e-14 5.351269957559999e-14 -8.908102085039999e-14 ] [ 9.613059803999999e-14 -5.287182892199999e-14 7.09764248862e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.851117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.539628928020018e-18 } }