{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4326 6.1608923 5.5216563 ] [ 8.4661319 1.4463613 -6.2425211 ] [ -7.0210005 -7.3428826 7.8682031 ] [ -6.9280718 1.4212264 5.2595947 ] [ -3.4413545 6.9410358 -5.4915915 ] [ 8.6651795 -1.3205804 1.3538081 ] [ -4.1734845 -7.3060528 -8.2691496 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.10180808935808e-09 9.870837606326741e-09 8.846668631953032e-09 ] [ 1.356423859878909e-08 2.317326260089895e-09 -1.00016213612707e-08 ] [ -1.124888285572511e-08 -1.176459483099912e-08 1.260625105452608e-08 ] [ -1.109999466518377e-08 2.277055710943749e-09 8.42679966322359e-09 ] [ -5.513657723784874e-09 1.112076528289583e-08 -8.798499512284004e-09 ] [ 1.388314800993544e-08 -2.115803042766712e-09 2.169039686869668e-09 ] [ -6.686659293171177e-09 -1.170558698649038e-08 -1.324863816301767e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.750256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.407387110921493e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6274747 0.9473097 2.1219631 ] [ 1.2231521 2.2534757 3.8582548 ] [ 1.7922231 3.1377425 1.9190424 ] [ 3.6129517 1.8780718 1.881393 ] [ 3.0403535 0.9962477 3.820679 ] [ 3.7811521 4.0734984 1.6782491 ] [ 3.2078447 3.1867749 3.6210557 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6274747e-10 9.473097000000001e-11 2.1219631e-10 ] [ 1.2231521e-10 2.2534757e-10 3.8582548e-10 ] [ 1.7922231e-10 3.1377425e-10 1.9190424e-10 ] [ 3.6129517e-10 1.8780718e-10 1.881393e-10 ] [ 3.0403535e-10 9.962477e-11 3.820679e-10 ] [ 3.7811521e-10 4.0734984e-10 1.6782491e-10 ] [ 3.2078447e-10 3.1867749e-10 3.6210557e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 8.3e-06 2.06e-05 ] [ 2.69e-05 1.55e-05 -1.6e-05 ] [ -5.3e-06 -2.11e-05 -4.2e-06 ] [ 1.52e-05 5.7e-06 8.5e-06 ] [ -1.73e-05 -1.39e-05 -1.58e-05 ] [ -7e-06 1.44e-05 -7e-06 ] [ -7.1e-06 -8.9e-06 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 1.329806595264e-14 3.300483838848e-14 ] [ 4.309855109952001e-14 2.48337376224e-14 -2.56348259328e-14 ] [ -8.491536090240001e-15 -3.380592669888e-14 -6.72914180736e-15 ] [ 2.435308463616e-14 9.13240673856e-15 1.36185012768e-14 ] [ -2.771765553984e-14 -2.227025502912e-14 -2.531439060864e-14 ] [ -1.12152363456e-14 2.307134333952e-14 -1.12152363456e-14 ] [ -1.137545400768e-14 -1.425937192512e-14 2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }