{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2970035 0.6528618 1.002423 ] [ 3.2822977 9.919013 -20.2274914 ] [ -27.3147707 5.0813015 10.3638959 ] [ 2.504368 -2.1638812 -2.0512231 ] [ 21.2311014 -13.4892951 10.9123957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.758520639957727e-10 1.045999912573406e-09 1.606058694752198e-09 ] [ 5.258820637445613e-09 1.589201073001127e-08 -3.240801381851307e-08 ] [ -4.376308701805285e-08 8.141142466535972e-09 1.660479171138497e-08 ] [ 4.012439859479655e-09 -3.466919868828649e-09 -3.2864216948649e-09 ] [ 3.401597429691415e-08 -2.1612233240292e-08 1.748358526745845e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.221733924591099 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.96831663481809e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7457311 0.8957294 0.8834874 ] [ 1.528343 3.2874064 0.9242864 ] [ -0.0631894 2.4583881 2.4232033 ] [ 2.9965064 1.4873018 0.6575906 ] [ 2.1259082 1.7354671 2.8133915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.457311e-11 8.957294e-11 8.834874000000001e-11 ] [ 1.528343e-10 3.2874064e-10 9.242864e-11 ] [ -6.318940000000001e-12 2.4583881e-10 2.4232033e-10 ] [ 2.9965064e-10 1.4873018e-10 6.575906e-11 ] [ 2.1259082e-10 1.7354671e-10 2.8133915e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 -4.63e-05 3.96e-05 ] [ 2.04e-05 8.79e-05 -3.36e-05 ] [ 8.6e-06 -9.7e-06 3.63e-05 ] [ 2.11e-05 -3.7e-06 2.23e-05 ] [ -5.39e-05 -2.81e-05 -6.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 -7.418077754303999e-14 6.344619418368e-14 ] [ 3.268440306432e-14 1.4083132496832e-13 -5.383313445888e-14 ] [ 1.377871893888e-14 -1.554111322176e-14 5.815901133504e-14 ] [ 3.380592669888e-14 -5.928053496960001e-15 3.572853864384e-14 ] [ -8.635731986112e-14 -4.502116304448e-14 -1.0350060970368e-13 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }