{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5709195 -1.9008069 -2.5306665 ] [ 0.2929687 0.0032035 2.0542529 ] [ -1.1079076 -0.6337024 -2.4852383 ] [ -4.8531375 -5.0500546 6.4199202 ] [ 1.8142852 8.133426 -3.3701849 ] [ -0.58349 0.2845742 -2.9136938 ] [ 6.0082006 -0.8366398 2.8256104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.516890496058826e-09 -3.045428375835324e-09 -4.054574701341764e-09 ] [ 4.69387601766169e-10 5.1325728047328e-12 3.2912759695906e-09 ] [ -1.775063654726638e-09 -1.01530316982485e-09 -3.981790701376736e-09 ] [ -7.77558344002776e-09 -8.091079413883497e-09 1.028584605184166e-08 ] [ 2.906805330903452e-09 1.303118498420686e-08 -5.399631454553186e-09 ] [ -9.34854036470592e-10 4.559381301228633e-10 -4.668252086529911e-09 ] [ 9.626198534396532e-09 -1.340444727590788e-09 4.527126922369337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.096439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899369148553333e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.527854 0.7405185 2.7160316 ] [ 2.8654676 2.3593684 0.9385746 ] [ 1.0713499 2.7805369 2.5190068 ] [ 2.2963433 2.3128706 4.6643662 ] [ 2.5610325 4.427079 3.5007183 ] [ 4.3705119 3.5633911 2.279234 ] [ 4.4763938 1.7443684 3.759822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.527854e-10 7.405185e-11 2.7160316e-10 ] [ 2.8654676e-10 2.3593684e-10 9.385746000000001e-11 ] [ 1.0713499e-10 2.7805369e-10 2.5190068e-10 ] [ 2.2963433e-10 2.3128706e-10 4.6643662e-10 ] [ 2.5610325e-10 4.427079e-10 3.5007183e-10 ] [ 4.3705119e-10 3.5633911e-10 2.279234e-10 ] [ 4.4763938e-10 1.7443684e-10 3.759822000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.5e-06 6.2e-06 7.4e-06 ] [ 1e-05 -6.8e-06 -9.1e-06 ] [ -2e-06 4.7e-06 -4.1e-06 ] [ 1.57e-05 2.8e-06 -2e-07 ] [ -7e-06 1.01e-05 5.3e-06 ] [ -1.53e-05 -2.5e-06 7.7e-06 ] [ -9.9e-06 -1.44e-05 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.36185012768e-14 9.93349504896e-15 1.185610699392e-14 ] [ 1.6021766208e-14 -1.089480102144e-14 -1.457980724928e-14 ] [ -3.2043532416e-15 7.53023011776e-15 -6.568924145279999e-15 ] [ 2.515417294656e-14 4.48609453824e-15 -3.2043532416e-16 ] [ -1.12152363456e-14 1.618198387008e-14 8.491536090240001e-15 ] [ -2.451330229824e-14 -4.005441552e-15 1.233675998016e-14 ] [ -1.586154854592e-14 -2.307134333952e-14 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.526286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609108878265435e-18 } }