{ "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" [ [ 0.8760834 0.5811476 0.1887226 ] [ 0.0667642 0.1957144 2.535937 ] [ 2.950388 1.045755 1.267551 ] [ 1.713434 2.554048 0.6359242 ] [ 2.757437 2.623078 2.535254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.760833999999999e-11 5.811476e-11 1.887226e-11 ] [ 6.67642e-12 1.957144e-11 2.535937e-10 ] [ 2.950388e-10 1.045755e-10 1.267551e-10 ] [ 1.713434e-10 2.554048e-10 6.359242000000001e-11 ] [ 2.757437e-10 2.623078e-10 2.535254e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2972404 -1.938721 2.0109249 ] [ 1.7221392 0.5915371 -3.2954804 ] [ 1.7236452 -4.5041293 -0.1976329 ] [ -2.1959614 3.1066211 -2.2335593 ] [ 1.0474175 2.7446922 3.7157477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.680584861237241e-09 -3.106173460453997e-09 3.221856860964578e-09 ] [ 2.759171164003215e-09 9.477469119558318e-10 -5.279941651184633e-09 ] [ 2.76158404199414e-09 -7.216410661520269e-09 -3.166428118809043e-10 ] [ -3.518318015259237e-09 4.977355696103979e-09 -3.578556491630413e-09 ] [ 1.678147830716784e-09 4.397481674132118e-09 5.953284093731372e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6198198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.220829713826893e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1474026 1.1138507 0.1621263 ] [ 0.8449708 -0.3729068 1.8660691 ] [ 2.9146674 0.4373328 2.6788387 ] [ 1.3730512 3.1186069 0.4382652 ] [ 3.0840146 2.7028594 2.0180895 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.474026e-11 1.1138507e-10 1.621263e-11 ] [ 8.449708e-11 -3.729068e-11 1.8660691e-10 ] [ 2.9146674e-10 4.373328000000001e-11 2.6788387e-10 ] [ 1.3730512e-10 3.1186069e-10 4.382652000000001e-11 ] [ 3.0840146e-10 2.7028594e-10 2.0180895e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 -3.3e-06 -2.8e-06 ] [ -1.1e-06 -1e-06 1e-06 ] [ 1.1e-06 -2e-06 1.3e-06 ] [ -1e-07 4.3e-06 -1e-07 ] [ 2.7e-06 2.1e-06 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-15 -5.28718284864e-15 -4.48609453824e-15 ] [ -1.76239428288e-15 -1.6021766208e-15 1.6021766208e-15 ] [ 1.76239428288e-15 -3.2043532416e-15 2.08282960704e-15 ] [ -1.6021766208e-16 6.889359469440001e-15 -1.6021766208e-16 ] [ 4.32587687616e-15 3.36457090368e-15 9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.976836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335987195579e-18 } }