{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7793376 -0.0538178 -2.4345087 ] [ -0.8439812 -0.5236048 2.6627681 ] [ -1.4404059 1.7317786 -1.3922118 ] [ 0.0278505 -0.8838044 -1.0163852 ] [ 1.3453824 0.3823448 -1.5754617 ] [ 0.9775217 -0.7285253 1.7407159 ] [ 0.7129701 0.0756288 2.0150833 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.248636482430382e-09 -8.622562094289023e-11 -3.900512922274201e-09 ] [ -1.352206947034729e-09 -8.389073690986599e-10 4.266224796432037e-09 ] [ -2.307784657442383e-09 2.774615185321755e-09 -2.230569197161886e-09 ] [ 4.462141997759041e-11 -1.416010747040172e-09 -1.628428605167132e-09 ] [ 2.155540227315794e-09 6.125838996444518e-10 -2.524167902705824e-09 ] [ 1.566162414064672e-09 -1.167226203321306e-09 2.788934318434831e-09 ] [ 1.142304025549438e-09 1.21170695219159e-10 3.228519352224513e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.523238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.647314562351415e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8580903 1.8811055 2.1010952 ] [ 2.1006216 1.6386799 4.3604979 ] [ 2.8562192 3.9367647 2.1234878 ] [ 3.8402756 0.8231442 1.6837796 ] [ 4.8235871 2.9046667 1.4898583 ] [ 3.9939167 0.3812971 3.9461687 ] [ 2.9133746 3.8001582 4.4289846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8580903e-10 1.8811055e-10 2.1010952e-10 ] [ 2.1006216e-10 1.6386799e-10 4.360497900000001e-10 ] [ 2.8562192e-10 3.9367647e-10 2.1234878e-10 ] [ 3.8402756e-10 8.231442e-11 1.6837796e-10 ] [ 4.8235871e-10 2.9046667e-10 1.4898583e-10 ] [ 3.9939167e-10 3.812971e-11 3.9461687e-10 ] [ 2.9133746e-10 3.8001582e-10 4.4289846e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 -6e-07 -7e-06 ] [ -5.4e-06 2.1e-06 2.5e-06 ] [ -3.9e-06 -1.16e-05 -5.9e-06 ] [ -1.9e-06 1.26e-05 2e-07 ] [ -1.1e-06 2.7e-06 2.6e-06 ] [ -1.3e-06 4.8e-06 6.3e-06 ] [ 1.33e-05 -1.01e-05 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 -9.6130597248e-16 -1.12152363456e-14 ] [ -8.65175375232e-15 3.36457090368e-15 4.005441552e-15 ] [ -6.24848882112e-15 -1.858524880128e-14 -9.45284206272e-15 ] [ -3.04413557952e-15 2.018742542208e-14 3.2043532416e-16 ] [ -1.76239428288e-15 4.32587687616e-15 4.16565921408e-15 ] [ -2.08282960704e-15 7.69044777984e-15 1.009371271104e-14 ] [ 2.130894905664e-14 -1.618198387008e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }