{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.0143678 0.7859796 -31.0924651 ] [ 12.3020788 -25.1379165 21.4937595 ] [ 6.7884764 10.786 25.167927 ] [ -4.3386534 12.7307113 -15.403108 ] [ -1.4771079 -3.3205415 -3.7493269 ] [ 1.7395739 4.1557671 3.5832136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.405566906525233e-08 1.259278139545736e-09 -4.981562066625993e-08 ] [ 1.971010304059932e-08 -4.027538211192256e-08 3.443679896399789e-08 ] [ 1.087633817893255e-08 1.72810770319488e-08 4.032346423340108e-08 ] [ -6.951289043234431e-09 2.039684801101437e-08 -2.467849952525745e-08 ] [ -2.366587743778985e-09 -5.320093959696163e-09 -6.007083902916539e-09 ] [ 2.787104632733877e-09 6.658272889109816e-09 5.740941057252603e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.729164009509322 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.000742870316463e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.333764 0.7397205 1.1815546 ] [ 1.675896 0.1362115 2.2834449 ] [ 0.4256531 2.0031912 3.0373677 ] [ 0.5019911 2.9339517 0.8590695 ] [ 1.752229 1.0669672 0.1051462 ] [ 2.5116507 2.3304388 1.9609603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.33764e-11 7.397205e-11 1.1815546e-10 ] [ 1.675896e-10 1.362115e-11 2.2834449e-10 ] [ 4.256531e-11 2.0031912e-10 3.0373677e-10 ] [ 5.019911e-11 2.9339517e-10 8.590695000000001e-11 ] [ 1.752229e-10 1.0669672e-10 1.051462e-11 ] [ 2.5116507e-10 2.3304388e-10 1.9609603e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 1.63e-05 -4.1e-06 ] [ 6e-07 -4.4e-06 4.5e-06 ] [ 1.63e-05 8.9e-06 -1.51e-05 ] [ 6.8e-06 -3.62e-05 1.49e-05 ] [ 5.1e-06 1.82e-05 7.2e-06 ] [ -2.46e-05 -2.8e-06 -7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.72914180736e-15 2.611547891904e-14 -6.568924145279999e-15 ] [ 9.6130597248e-16 -7.04957713152e-15 7.2097947936e-15 ] [ 2.611547891904e-14 1.425937192512e-14 -2.419286697408e-14 ] [ 1.089480102144e-14 -5.799879367296e-14 2.387243164992e-14 ] [ 8.17110076608e-15 2.915961449856e-14 1.153567166976e-14 ] [ -3.941354487168e-14 -4.48609453824e-15 -1.185610699392e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }