{ "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" [ [ -6.3659871 -8.4219049 -3.0009747 ] [ -0.3060374 -0.5258588 -0.2685896 ] [ 17.4714349 -29.0645761 -2.7623432 ] [ -14.5484364 23.4324107 -13.9711124 ] [ 3.749026 14.5799291 20.00302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.019943578396542e-08 -1.349337924455011e-08 -4.80809154356516e-09 ] [ -4.903259714101116e-10 -8.425186821432791e-10 -4.303279812554063e-10 ] [ 2.799232475923212e-08 -4.656658470453484e-08 -4.425761730128789e-09 ] [ -2.330916486131507e-08 3.754286090183158e-08 -2.238418983826766e-08 ] [ 6.006601857458483e-09 2.335962172939664e-08 3.204837125343467e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.95486234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.529858129834563e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5340106 0.7243082 0.1011168 ] [ 0.5172571 -0.1111115 2.6176106 ] [ 2.7114267 0.6774871 1.4145654 ] [ 1.9847565 2.8066158 0.2283442 ] [ 2.6166557 2.9024434 2.8017518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.340106e-11 7.243082e-11 1.011168e-11 ] [ 5.172571e-11 -1.111115e-11 2.6176106e-10 ] [ 2.7114267e-10 6.774871e-11 1.4145654e-10 ] [ 1.9847565e-10 2.8066158e-10 2.283442e-11 ] [ 2.6166557e-10 2.9024434e-10 2.8017518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.47e-05 -9e-06 5.1e-06 ] [ -1.47e-05 2e-07 -2.1e-06 ] [ -1.24e-05 -2.5e-06 -1.72e-05 ] [ -1.29e-05 -1.8e-06 9e-06 ] [ 1.53e-05 1.32e-05 5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.95737628598e-14 -1.4419589706e-14 8.1711008334e-15 ] [ -2.35519965198e-14 3.204353268e-16 -3.364570931399999e-15 ] [ -1.98669902616e-14 -4.005441585e-15 -2.75574381048e-14 ] [ -2.06680785786e-14 -2.8839179412e-15 1.4419589706e-14 ] [ 2.45133025002e-14 2.11487315688e-14 8.1711008334e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260879992939e-18 } }