{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5834212 0.4864796 1.920549 ] [ 1.105833 1.594471 0.5913636 ] [ 0.1509893 2.698828 2.704799 ] [ 2.461816 0.3168887 1.8618 ] [ 2.990224 2.253685 0.1987983 ] [ 2.155559 1.839196 2.850141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.834212e-11 4.864796e-11 1.920549e-10 ] [ 1.105833e-10 1.594471e-10 5.913636000000001e-11 ] [ 1.509893e-11 2.698828e-10 2.704799e-10 ] [ 2.461816e-10 3.168887e-11 1.8618e-10 ] [ 2.990224e-10 2.253685e-10 1.987983e-11 ] [ 2.155559e-10 1.839196e-10 2.850141e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.6988555 -11.9585797 5.0450417 ] [ -6.4102009 7.4775986 -18.3660989 ] [ -3.8721106 4.2020762 2.3486553 ] [ 13.7372696 -13.098947 -1.2205728 ] [ 4.4906536 2.2872888 -2.5325838 ] [ 7.7532439 11.090563 14.7255586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.51523392554175e-08 -1.915975681331348e-08 8.083047862701087e-09 ] [ -1.027027401661112e-08 1.198043365664681e-08 -2.94257342728806e-08 ] [ -6.203805076471861e-09 6.732468246460104e-09 3.76296061197801e-09 ] [ 2.200953218674657e-08 -2.09868266404983e-08 -1.955573204144394e-09 ] [ 7.194820210031355e-09 3.664640640377687e-09 -4.057646554576823e-09 ] [ 1.242206611194021e-08 1.776904075010951e-08 2.359294571714038e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.9884673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.1858758192853e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.379884 0.166591 1.7386415 ] [ 0.6444013 2.0665556 0.2244513 ] [ 0.311535 2.4467372 2.6155216 ] [ 2.6386153 0.1098579 2.0620538 ] [ 2.9031394 2.0098175 0.5478527 ] [ 2.5702676 2.3899892 2.93893 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.79884e-11 1.66591e-11 1.7386415e-10 ] [ 6.444013e-11 2.0665556e-10 2.244513e-11 ] [ 3.11535e-11 2.4467372e-10 2.6155216e-10 ] [ 2.6386153e-10 1.098579e-11 2.0620538e-10 ] [ 2.9031394e-10 2.0098175e-10 5.478527e-11 ] [ 2.5702676e-10 2.3899892e-10 2.93893e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-05 1.23e-05 3.3e-06 ] [ 2.35e-05 -4.8e-06 -3.12e-05 ] [ 1.9e-06 -2.34e-05 1.12e-05 ] [ 9.6e-06 -1.6e-05 -2.8e-06 ] [ -2.66e-05 5e-07 -2.33e-05 ] [ 1.57e-05 3.14e-05 4.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.84522388992e-14 1.970677243584e-14 5.28718284864e-15 ] [ 3.76511505888e-14 -7.69044777984e-15 -4.998791056896e-14 ] [ 3.04413557952e-15 -3.749093292672001e-14 1.794437815296e-14 ] [ 1.538089555968e-14 -2.56348259328e-14 -4.48609453824e-15 ] [ -4.261789811328e-14 8.010883104e-16 -3.733071526464e-14 ] [ 2.515417294656e-14 5.030834589312e-14 6.857315937023999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }