{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.7615701 -24.060704 -19.1181102 ] [ -11.8019046 -21.5826996 -12.6165147 ] [ 18.7384278 -10.0654951 9.6145302 ] [ -14.8304162 8.0609983 -34.546466 ] [ 58.8100388 -7.2178756 16.5046551 ] [ -23.0033753 74.077437 -14.0323376 ] [ 8.8487996 -19.211661 54.1942433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.889852815812032e-08 -3.854949742878905e-08 -3.063058919631801e-08 ] [ -1.890873563103198e-08 -3.457929671286952e-08 -2.021388488831952e-08 ] [ 3.002227093170878e-08 -1.612670092599696e-08 1.540417550641555e-08 ] [ -2.376094611237358e-08 1.291514301656854e-08 -5.534954015646209e-08 ] [ 9.42240692337009e-08 -1.156431153816277e-08 2.644337253558749e-08 ] [ -3.685547010514818e-08 1.186851376901849e-07 -2.248228323789278e-08 ] [ 1.417733984126439e-08 -3.078047410093515e-08 8.682874959720703e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 34.916201 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.594192092935359e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5894895 2.1762819 2.8339023 ] [ 3.5160964 1.4210502 0.9266414 ] [ 4.4894038 1.2523376 3.7024961 ] [ 3.4675825 4.1531603 0.2312775 ] [ 5.5207368 3.4564871 2.2890072 ] [ 2.9039819 4.9687753 2.9206238 ] [ 3.1158731 3.2206577 5.1821769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5894895e-10 2.1762819e-10 2.8339023e-10 ] [ 3.5160964e-10 1.4210502e-10 9.266413999999999e-11 ] [ 4.4894038e-10 1.2523376e-10 3.7024961e-10 ] [ 3.4675825e-10 4.1531603e-10 2.312775e-11 ] [ 5.5207368e-10 3.4564871e-10 2.2890072e-10 ] [ 2.9039819e-10 4.9687753e-10 2.9206238e-10 ] [ 3.1158731e-10 3.2206577e-10 5.1821769e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.4e-05 1.7e-06 1.21e-05 ] [ 4.94e-05 -6.3e-06 -4.5e-06 ] [ -2.34e-05 9.4e-06 5.2e-06 ] [ 1.27e-05 7.7e-06 3.71e-05 ] [ -4.5e-05 -2e-05 5.3e-06 ] [ -2.08e-05 2.35e-05 -2.6e-05 ] [ 6.1e-05 -1.6e-05 -2.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.44740051072e-14 2.72370025536e-15 1.938633711168e-14 ] [ 7.914752506752001e-14 -1.009371271104e-14 -7.2097947936e-15 ] [ -3.749093292672001e-14 1.506046023552e-14 8.33131842816e-15 ] [ 2.034764308416e-14 1.233675998016e-14 5.944075263168e-14 ] [ -7.209794793600001e-14 -3.2043532416e-14 8.491536090240001e-15 ] [ -3.332527371264e-14 3.76511505888e-14 -4.16565921408e-14 ] [ 9.773277386880001e-14 -2.56348259328e-14 -4.678355732736e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.661456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.989894851328789e-18 } }