{ "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" [ [ 0.0795215 1.172985 2.972487 ] [ 0.7048054 0.2310616 1.565444 ] [ 0.5328429 2.146868 1.561816 ] [ 2.937455 0.8293126 0.8336996 ] [ 1.506301 0.8690976 0.2004578 ] [ 2.979161 2.931887 0.4386378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.95215e-12 1.172985e-10 2.972487e-10 ] [ 7.048054e-11 2.310616e-11 1.565444e-10 ] [ 5.328429e-11 2.146868e-10 1.561816e-10 ] [ 2.937455e-10 8.293126e-11 8.336996000000001e-11 ] [ 1.506301e-10 8.690976e-11 2.004578e-11 ] [ 2.979161e-10 2.931887e-10 4.386378e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9991403 0.1166712 8.9179669 ] [ -5.8273191 -17.1131998 3.2902407 ] [ 8.1702064 13.0954159 -5.7762769 ] [ 6.7865997 0.580062 4.2500094 ] [ -5.1962021 -3.072855 -12.4373217 ] [ -0.9341446 6.3939058 1.7553816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.805152510747749e-09 1.869278705007408e-10 1.428815818996541e-08 ] [ -9.33639450088191e-09 -2.741836885253347e-08 5.271546769775803e-09 ] [ 1.309011378903725e-08 2.098116936749208e-08 -9.254615880693953e-09 ] [ 1.087333146365141e-08 9.293617826713079e-10 6.809265754960358e-09 ] [ -8.32523359016173e-09 -4.92325648067007e-09 -1.992678621728116e-08 ] [ -1.496664650897276e-09 1.024416647275708e-08 2.812431383273534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.5120347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.024723300137199e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.3878454 1.0910144 3.1654944 ] [ 0.8645568 -0.2291388 1.6576606 ] [ 1.1035527 2.4112765 1.7841184 ] [ 3.0746861 0.8475913 1.3897097 ] [ 1.1900207 1.1038558 -0.3997488 ] [ 2.8951158 2.9566126 -0.0246922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.878454e-11 1.0910144e-10 3.1654944e-10 ] [ 8.645568e-11 -2.291388e-11 1.6576606e-10 ] [ 1.1035527e-10 2.4112765e-10 1.7841184e-10 ] [ 3.0746861e-10 8.475913e-11 1.3897097e-10 ] [ 1.1900207e-10 1.1038558e-10 -3.997488e-11 ] [ 2.8951158e-10 2.9566126e-10 -2.46922e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.1e-06 -1.2e-05 8.01e-05 ] [ 6.91e-05 3.96e-05 -2.68e-05 ] [ -5.13e-05 -4.36e-05 -6.61e-05 ] [ -0.0001026 -2.6e-05 1.68e-05 ] [ 4.24e-05 5.42e-05 2.38e-05 ] [ 3.94e-05 -1.21e-05 -2.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.9667475654e-15 -1.9226119608e-14 1.283343483834e-13 ] [ 1.107104054094e-13 6.34461947064e-14 -4.293833379119999e-14 ] [ -8.21916613242e-14 -6.985490124239999e-14 -1.059038755074e-13 ] [ -1.643833226484e-13 -4.165659248399999e-14 2.691656745119999e-14 ] [ 6.79322892816e-14 8.68379735628e-14 3.81318038892e-14 ] [ 6.31257593796e-14 -1.93863372714e-14 -4.470072808859999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.309927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.254009047764571e-18 } }