{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.5613632 -19.6169332 -26.8314804 ] [ -25.1603422 -26.783196 8.177268 ] [ -28.4915801 24.0169343 17.7718176 ] [ 23.4249282 5.5616779 -38.5425843 ] [ 28.1645657 -26.1096603 23.1859878 ] [ 16.6237916 42.9311773 16.2389913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.332987568601747e-08 -3.142979174483533e-08 -4.298877059833343e-08 ] [ -4.031131204416764e-08 -4.291141046150407e-08 1.310142761161597e-08 ] [ -4.564854352587052e-08 3.847937063874962e-08 2.847359066784196e-08 ] [ 3.753087230595863e-08 8.910790303800042e-09 -6.175202747067314e-08 ] [ 4.512460869952559e-08 -4.183228730968992e-08 3.714804758331402e-08 ] [ 2.663425025057143e-08 6.878332857347967e-08 2.60177322062346e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 37.096303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.943482938471291e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9374974 -0.1349048 0.121697 ] [ 0.4047785 -0.2271179 2.4164111 ] [ 0.1492463 2.1649214 2.7510867 ] [ 2.4598802 1.6681352 0.0606622 ] [ 2.6681603 0.0550158 3.2510665 ] [ 2.5376813 2.2989913 2.3309002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.374974e-11 -1.349048e-11 1.21697e-11 ] [ 4.047785e-11 -2.271179e-11 2.4164111e-10 ] [ 1.492463e-11 2.1649214e-10 2.7510867e-10 ] [ 2.4598802e-10 1.6681352e-10 6.06622e-12 ] [ 2.6681603e-10 5.50158e-12 3.2510665e-10 ] [ 2.5376813e-10 2.2989913e-10 2.3309002e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 5e-07 -1.1e-06 ] [ -2.95e-05 -2.45e-05 2.1e-06 ] [ -6.3e-06 2e-06 1e-07 ] [ 3.9e-06 4.4e-06 2e-06 ] [ 1.21e-05 -7e-07 4.1e-06 ] [ 2e-05 1.83e-05 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 8.010883104e-16 -1.76239428288e-15 ] [ -4.72642103136e-14 -3.92533272096e-14 3.36457090368e-15 ] [ -1.009371271104e-14 3.2043532416e-15 1.6021766208e-16 ] [ 6.24848882112e-15 7.04957713152e-15 3.2043532416e-15 ] [ 1.938633711168e-14 -1.12152363456e-15 6.568924145279999e-15 ] [ 3.2043532416e-14 2.931983216064e-14 -1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }