{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0367081 2.0813051 -1.210532 ] [ 1.7130395 -1.9350359 1.2759808 ] [ -2.0435118 -0.0107848 0.749002 ] [ -1.2047806 -0.7270314 -2.1103523 ] [ 1.2972284 0.3561091 1.6471174 ] [ -1.1618971 0.8600082 3.1024302 ] [ 0.3632135 -0.6245703 -3.4536461 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.660989494098535e-09 3.334618399445033e-09 -1.939486085109288e-09 ] [ 2.744591860019042e-09 -3.10026930493116e-09 2.044346623192627e-09 ] [ -3.274066857263281e-09 -1.72791545623632e-11 1.200033503219268e-09 ] [ -1.9302713264165e-09 -1.164832721264308e-09 -3.381157144568158e-09 ] [ 2.078389031441205e-09 5.705496791747693e-10 2.638973011734831e-09 ] [ -1.861564384732361e-09 1.377885043088399e-09 4.970641175055946e-09 ] [ 5.81932182853359e-10 -1.00067194095037e-09 -5.533351083525227e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.071705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.497582982754097e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2565692 1.7076112 2.7132765 ] [ 2.159003 3.5345211 1.5318317 ] [ 2.2245235 3.4851317 3.8901617 ] [ 3.221128 1.3995626 1.516147 ] [ 4.0758971 2.0614331 3.6107634 ] [ 4.5093363 3.3518408 1.6555254 ] [ 4.3697809 4.4053414 3.7172463 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2565692e-10 1.7076112e-10 2.7132765e-10 ] [ 2.159003e-10 3.5345211e-10 1.5318317e-10 ] [ 2.2245235e-10 3.4851317e-10 3.8901617e-10 ] [ 3.221128000000001e-10 1.3995626e-10 1.516147e-10 ] [ 4.0758971e-10 2.0614331e-10 3.6107634e-10 ] [ 4.509336300000001e-10 3.351840800000001e-10 1.6555254e-10 ] [ 4.3697809e-10 4.4053414e-10 3.7172463e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.12e-05 -2.4e-06 -9.1e-06 ] [ -8.4e-06 -1.21e-05 1.56e-05 ] [ -2.06e-05 1.96e-05 -8.7e-06 ] [ -1.92e-05 -1.55e-05 -1.2e-05 ] [ 3.52e-05 -2.06e-05 -1.62e-05 ] [ 1.61e-05 -1.14e-05 1e-06 ] [ 8.1e-06 4.24e-05 2.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.79443783008e-14 -3.845223921599999e-15 -1.45798073694e-14 ] [ -1.34582837256e-14 -1.93863372714e-14 2.49939554904e-14 ] [ -3.300483866039999e-14 3.140266202639999e-14 -1.39389367158e-14 ] [ -3.076179137279999e-14 -2.4833737827e-14 -1.9226119608e-14 ] [ 5.63966175168e-14 -3.300483866039999e-14 -2.59552614708e-14 ] [ 2.579504380739999e-14 -1.82648136276e-14 1.602176634e-15 ] [ 1.29776307354e-14 6.79322892816e-14 4.726421070299999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856431936313217e-18 } }