{ "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" [ [ 0.9865114 1.002248 2.003773 ] [ 2.302262 0.4465448 0.4828732 ] [ 2.913212 0.9916658 2.458282 ] [ 2.765138 2.782808 0.4747325 ] [ 1.558206 2.989621 2.793764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.865114e-11 1.002248e-10 2.003773e-10 ] [ 2.302262e-10 4.465448e-11 4.828732e-11 ] [ 2.913212e-10 9.916658000000001e-11 2.458282e-10 ] [ 2.765138e-10 2.782808e-10 4.747325e-11 ] [ 1.558206e-10 2.989621e-10 2.793764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.4682214 -4.1330054 3.4626545 ] [ 2.6026992 -11.7938998 -21.0113723 ] [ 21.2452408 -2.4434893 10.1514832 ] [ 1.3697103 2.5184814 3.7278395 ] [ -3.7494288 15.8519131 3.6693951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.439588270061876e-08 -6.621804680075822e-09 5.547784131514952e-09 ] [ 4.169983843570492e-09 -1.889591068329727e-08 -3.366392974733484e-08 ] [ 3.403862839346347e-08 -3.914901461889016e-09 1.626446918348355e-08 ] [ 2.19451783800913e-09 4.035052052243608e-09 5.972657342202242e-09 ] [ -6.007247214206659e-09 2.53975647730185e-08 5.879019090134092e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.9554542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.735159662097163e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6379072 0.736181 2.2175688 ] [ 2.1762907 0.4867899 0.2413621 ] [ 3.1617816 1.1037908 2.5332748 ] [ 3.0438609 2.8183706 0.6225007 ] [ 1.505489 3.0677553 2.5987182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.379072000000001e-11 7.36181e-11 2.2175688e-10 ] [ 2.1762907e-10 4.867899e-11 2.413621e-11 ] [ 3.1617816e-10 1.1037908e-10 2.5332748e-10 ] [ 3.0438609e-10 2.8183706e-10 6.225007e-11 ] [ 1.505489e-10 3.0677553e-10 2.5987182e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 -1e-06 -2.6e-06 ] [ -5.2e-06 5.4e-06 1.1e-06 ] [ 9.8e-06 -7.9e-06 7.8e-06 ] [ -7.1e-06 9e-07 6e-06 ] [ 1.1e-06 2.6e-06 -1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.2430472876e-15 -1.602176634e-15 -4.165659248399999e-15 ] [ -8.331318496799998e-15 8.6517538236e-15 1.7623942974e-15 ] [ 1.57013310132e-14 -1.26571954086e-14 1.24969777452e-14 ] [ -1.13754541014e-14 1.4419589706e-15 9.613059803999999e-15 ] [ 1.7623942974e-15 4.165659248399999e-15 -1.97067725982e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.709606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.67717402965462e-18 } }