{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1313439 3.2213818 -1.1345723 ] [ -0.5087734 1.4495091 2.8537834 ] [ -7.3697378 -2.3721948 -0.970872 ] [ 0.3600504 -2.7915831 2.5996771 ] [ -0.8937435 0.0429787 -0.4560724 ] [ 5.3007777 1.3233229 1.235992 ] [ -1.0199173 -0.8734146 -4.1279358 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.619142609064693e-09 5.161222606630622e-09 -1.817785213667284e-09 ] [ -8.151448467649269e-10 2.32236959165685e-09 4.572265044307136e-09 ] [ -1.180762160458603e-08 -3.800675048543332e-09 -1.555508420189337e-09 ] [ 5.768643331896883e-10 -4.472609177840389e-09 4.165141871249144e-09 ] [ -1.431934940691965e-09 6.885946833237696e-11 -7.30708536672146e-10 ] [ 8.492782102997996e-09 2.120197012149256e-09 1.980277485895834e-09 ] [ -1.63408765320946e-09 -1.399364452385384e-09 -6.613682230923346e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.445784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.955340387712671e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3403273 1.8278734 3.1748272 ] [ 2.9527492 5.8238774 2.5929579 ] [ 2.6130737 3.6193229 1.5211386 ] [ 4.5038938 1.9862047 2.0196272 ] [ 5.6578168 3.0595702 3.9056093 ] [ 4.9635791 4.4920148 2.0389148 ] [ 3.341863 3.8966276 4.074898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3403273e-10 1.8278734e-10 3.1748272e-10 ] [ 2.9527492e-10 5.8238774e-10 2.5929579e-10 ] [ 2.6130737e-10 3.6193229e-10 1.5211386e-10 ] [ 4.5038938e-10 1.9862047e-10 2.0196272e-10 ] [ 5.6578168e-10 3.0595702e-10 3.9056093e-10 ] [ 4.9635791e-10 4.4920148e-10 2.0389148e-10 ] [ 3.341863e-10 3.8966276e-10 4.074898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -6.9e-05 5.89e-05 ] [ 4.02e-05 -2.57e-05 -3.1e-05 ] [ 1.03e-05 5.79e-05 -1.12e-05 ] [ 1.72e-05 -2.4e-06 -4.8e-05 ] [ -1.9e-05 1.7e-06 1.03e-05 ] [ -2.59e-05 2.22e-05 1.18e-05 ] [ -7.5e-06 1.53e-05 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 -1.105501868352e-13 9.436820296512001e-14 ] [ 6.440750015616e-14 -4.117593915456e-14 -4.96674752448e-14 ] [ 1.650241919424e-14 9.276602634432e-14 -1.794437815296e-14 ] [ 2.755743787776e-14 -3.84522388992e-15 -7.69044777984e-14 ] [ -3.04413557952e-14 2.72370025536e-15 1.650241919424e-14 ] [ -4.149637447872e-14 3.556832098176e-14 1.890568412544e-14 ] [ -1.2016324656e-14 2.451330229824e-14 1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.947028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516301515764299e-18 } }