{ "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" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2590409 -1.2777367 -0.5585202 ] [ 0.5041397 -1.0234898 -0.2555367 ] [ -0.6244447 0.9884996 0.5024456 ] [ 0.0557178 0.6170434 -0.7857501 ] [ 0.1704088 0.4171586 1.0923393 ] [ 0.0189422 -0.7058422 -0.0337505 ] [ 1.1342772 0.9843671 0.0387725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.01720591123033e-09 -2.047159885144267e-09 -8.948480140570068e-10 ] [ 8.077208476117697e-10 -1.639811442697333e-09 -4.094149298694678e-10 ] [ -1.00047070756514e-09 1.583750961838346e-09 8.050066001761103e-10 ] [ 8.926975725788519e-11 9.886125176439154e-10 -1.258910450383163e-09 ] [ 2.730249975879792e-10 6.683617615921523e-10 1.750120502859916e-09 ] [ 3.03487502365548e-11 -1.130883880131155e-09 -5.4074262485817e-11 ] [ 1.817312426318945e-09 1.577129966898341e-09 6.2120393541765e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -20.15291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.228852150910493e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4721601 1.7792825 3.5524031 ] [ 2.9816988 3.428111 1.8183962 ] [ 5.3078079 0.9534148 1.8745703 ] [ 5.3728486 3.3339754 1.8225073 ] [ 2.9946225 1.0871852 1.3220427 ] [ 4.6834992 1.1032911 4.168428 ] [ 4.230047 3.4400154 3.9223256 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4721601e-10 1.7792825e-10 3.5524031e-10 ] [ 2.9816988e-10 3.428111e-10 1.8183962e-10 ] [ 5.3078079e-10 9.534148e-11 1.8745703e-10 ] [ 5.372848600000001e-10 3.3339754e-10 1.8225073e-10 ] [ 2.9946225e-10 1.0871852e-10 1.3220427e-10 ] [ 4.6834992e-10 1.1032911e-10 4.168428e-10 ] [ 4.230047e-10 3.4400154e-10 3.9223256e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 1.1e-06 -1.02e-05 ] [ 4.4e-06 -1.3e-06 3e-06 ] [ -7e-06 3.5e-06 1.8e-06 ] [ -7.8e-06 -2.5e-06 6.4e-06 ] [ -4.1e-06 -1.9e-06 -1.5e-06 ] [ 1.4e-06 -2.3e-06 4.5e-06 ] [ -6e-07 3.4e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.17896022224e-14 1.7623942974e-15 -1.63422016668e-14 ] [ 7.0495771896e-15 -2.0828296242e-15 4.806529901999999e-15 ] [ -1.1215236438e-14 5.607618218999999e-15 2.8839179412e-15 ] [ -1.24969777452e-14 -4.005441585e-15 1.02539304576e-14 ] [ -6.568924199399999e-15 -3.0441356046e-15 -2.403264951e-15 ] [ 2.2430472876e-15 -3.685006258199999e-15 7.209794853e-15 ] [ -9.613059803999998e-16 5.4474005556e-15 -6.248488872599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }