{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3030041 -1.3511126 -2.5006697 ] [ -2.9041117 -3.4356727 1.5491116 ] [ -0.3780706 2.2526271 2.4904076 ] [ -0.0761804 -5.0525349 -3.5522659 ] [ 4.1769695 -5.081614 -0.5763112 ] [ 2.1331805 5.7428877 -0.096475 ] [ -1.6487831 6.9254195 2.6862026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.087642723026199e-09 -2.164721037622988e-09 -4.006514562691789e-09 ] [ -4.652899908266017e-09 -5.504554522011691e-09 2.481950408978354e-09 ] [ -6.057358813223604e-10 3.609106504735181e-09 3.990072865856018e-09 ] [ -1.220544568487736e-10 -8.095053359249526e-09 -5.69135742273498e-09 ] [ 6.692242933830663e-09 -8.141643213807275e-09 -9.233523385525007e-10 ] [ 3.417731953204437e-09 9.201120484626e-09 -1.5456999076515e-10 ] [ -2.641641757354085e-09 1.109574530354796e-08 4.303771039910048e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.743522 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.201954981726495e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7175621 2.9146378 1.0839401 ] [ 2.586823 0.9873197 3.3657007 ] [ 1.850122 3.330345 3.4488047 ] [ 3.8466349 1.7436269 1.3193727 ] [ 4.9336467 1.7425374 3.5920354 ] [ 4.9073634 3.941191 1.3915783 ] [ 4.1514498 4.0709211 3.6707691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7175621e-10 2.9146378e-10 1.0839401e-10 ] [ 2.586823e-10 9.873197e-11 3.3657007e-10 ] [ 1.850122e-10 3.330345e-10 3.4488047e-10 ] [ 3.8466349e-10 1.7436269e-10 1.3193727e-10 ] [ 4.9336467e-10 1.7425374e-10 3.5920354e-10 ] [ 4.9073634e-10 3.941191e-10 1.3915783e-10 ] [ 4.1514498e-10 4.0709211e-10 3.6707691e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.16e-05 6.4e-06 4.01e-05 ] [ -8.5e-05 -3.59e-05 8.54e-05 ] [ -3.2e-05 5.6e-06 3.06e-05 ] [ 5.03e-05 6.3e-06 -0.0002176 ] [ 4.75e-05 3.25e-05 4.43e-05 ] [ 8.6e-06 -4.09e-05 1.38e-05 ] [ -2.11e-05 2.59e-05 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.06287816344e-14 1.02539304576e-14 6.42472830234e-14 ] [ -1.3618501389e-13 -5.751814116059999e-14 1.368258845436e-13 ] [ -5.126965228799999e-14 8.972189150399999e-15 4.90266050004e-14 ] [ 8.05894846902e-14 1.00937127942e-14 -3.486336355584e-13 ] [ 7.6103390115e-14 5.207074060499999e-14 7.09764248862e-14 ] [ 1.37787190524e-14 -6.552902433059999e-14 2.21100375492e-14 ] [ -3.38059269774e-14 4.149637482059999e-14 5.1269652288e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.32282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.775421743898788e-18 } }