{ "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" [ [ 0.0417064 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4016946 0.3855296 -0.4563437 ] [ -8.6427382 0.0477149 -3.1949186 ] [ -0.1517373 -3.7156611 -0.1826424 ] [ 7.9403811 4.7774909 0.9641368 ] [ -0.5476002 -1.4950743 2.8697679 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.245762317621607e-09 6.176865117463757e-10 -7.31143207189369e-10 ] [ -1.384719308373508e-08 7.644769724380992e-11 -5.118823886279067e-09 ] [ -2.431099545633159e-10 -5.953145345236012e-09 -2.926253832468019e-10 ] [ 1.272189295866219e-08 7.654384226064751e-09 1.544717440212926e-09 ] [ -8.773522379854041e-10 -2.395373089818925e-09 4.597875036502312e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9917306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.599810685451958e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1976551 1.9271974 2.403027 ] [ 0.7026374 2.2819155 0.1327394 ] [ 1.9955835 0.3517626 0.50401 ] [ 2.5998519 3.2850799 1.0967294 ] [ 2.4927558 1.4274449 2.5364379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.976551e-11 1.9271974e-10 2.403027e-10 ] [ 7.026374e-11 2.2819155e-10 1.327394e-11 ] [ 1.9955835e-10 3.517626e-11 5.0401e-11 ] [ 2.5998519e-10 3.2850799e-10 1.0967294e-10 ] [ 2.4927558e-10 1.4274449e-10 2.5364379e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -2e-07 -3.3e-06 ] [ 1.9e-06 -2.8e-06 -3e-07 ] [ -4.1e-06 6.7e-06 -8e-07 ] [ -3.7e-06 -5e-06 7e-07 ] [ 1.1e-06 1.3e-06 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 -3.2043532416e-16 -5.28718284864e-15 ] [ 3.04413557952e-15 -4.48609453824e-15 -4.8065298624e-16 ] [ -6.568924145279999e-15 1.073458335936e-14 -1.28174129664e-15 ] [ -5.928053496960001e-15 -8.010883104e-15 1.12152363456e-15 ] [ 1.76239428288e-15 2.08282960704e-15 5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }