{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2054433 -2.9035906 -7.0176307 ] [ -3.8760219 4.2862988 -0.9871595 ] [ 0.3579962 1.6720798 5.6201289 ] [ -5.6913582 -1.4853271 -0.8080396 ] [ 1.5102122 2.5970564 0.5467976 ] [ 2.4228942 -0.0840872 3.8278403 ] [ 3.0708342 -4.08243 -1.1819369 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.533509722871852e-09 -4.652065014022039e-09 -1.124348393358106e-08 ] [ -6.210071721052284e-09 6.867407783702238e-09 -1.581603884931123e-09 ] [ 5.735731467007907e-10 2.678967185743393e-09 9.004439203648121e-09 ] [ -9.118561123764298e-09 -2.379756373466981e-09 -1.294622166466706e-09 ] [ 2.419626699221735e-09 4.160943081260157e-09 8.760663382472783e-10 ] [ 3.881904473894123e-09 -1.347225470584848e-10 6.13287628734355e-09 ] [ 4.920018802128082e-09 -6.540773955940618e-09 -1.893671684042394e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.802229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.332884523891718e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6605253 1.8769439 1.1474303 ] [ 0.2680157 2.6844859 1.6107494 ] [ 1.7695298 1.862399 3.5239964 ] [ 2.291348 4.0660364 2.3777681 ] [ 4.1025376 1.0589877 3.0383998 ] [ 4.6237751 3.2601702 1.8934438 ] [ 3.7337684 3.2456459 4.2673662 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6605253e-10 1.8769439e-10 1.1474303e-10 ] [ 2.680157e-11 2.6844859e-10 1.6107494e-10 ] [ 1.7695298e-10 1.862399e-10 3.5239964e-10 ] [ 2.291348e-10 4.0660364e-10 2.3777681e-10 ] [ 4.1025376e-10 1.0589877e-10 3.0383998e-10 ] [ 4.6237751e-10 3.2601702e-10 1.8934438e-10 ] [ 3.7337684e-10 3.2456459e-10 4.2673662e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 -1.52e-05 1.29e-05 ] [ -4.8e-06 -1.45e-05 -7.1e-06 ] [ -1.38e-05 -6.5e-06 4.4e-06 ] [ 1.06e-05 3.11e-05 -2.4e-06 ] [ -5.7e-06 -3.1e-06 -1.56e-05 ] [ 3e-07 9.9e-06 8.9e-06 ] [ 1.29e-05 -1.6e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-16 -2.43530848368e-14 2.06680785786e-14 ] [ -7.690447843199998e-15 -2.3231561193e-14 -1.13754541014e-14 ] [ -2.21100375492e-14 -1.0414148121e-14 7.0495771896e-15 ] [ 1.69830723204e-14 4.982769331739999e-14 -3.845223921599999e-15 ] [ -9.1324068138e-15 -4.9667475654e-15 -2.49939554904e-14 ] [ 4.806529901999999e-16 1.58615486766e-14 1.42593720426e-14 ] [ 2.06680785786e-14 -2.5634826144e-15 -1.9226119608e-15 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682677979968e-18 } }