{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0074352 -12.9978929 -17.1439354 ] [ -10.1476302 -5.1827843 7.9423432 ] [ -4.475648 18.1289981 17.7310574 ] [ 16.98735 -13.3341273 2.4603167 ] [ 7.6433635 13.3858064 -10.9897819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.603367871161097e-08 -2.082492012404231e-08 -2.74676124863855e-08 ] [ -1.625829586296403e-08 -8.303735836109294e-09 1.272503658940986e-08 ] [ -7.170778588530278e-09 2.904585691434762e-08 2.840828562834283e-08 ] [ 2.721673501934688e-08 -2.136362701883103e-08 3.941861896503807e-09 ] [ 1.224601830397606e-08 2.144642606463502e-08 -1.7607571627871e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.438818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.153136001078622e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8442767 -0.2019007 1.3870101 ] [ -0.3401565 1.132726 2.9364987 ] [ 0.8531107 3.1524163 3.2228369 ] [ 2.7693513 0.9931119 0.7154032 ] [ 2.7750071 3.0660366 1.8502926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.442767e-11 -2.019007e-11 1.3870101e-10 ] [ -3.401565e-11 1.132726e-10 2.9364987e-10 ] [ 8.531107e-11 3.1524163e-10 3.2228369e-10 ] [ 2.7693513e-10 9.931119e-11 7.154032000000001e-11 ] [ 2.7750071e-10 3.0660366e-10 1.8502926e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.04e-05 -4.9e-06 -1.02e-05 ] [ -1.5e-06 -2.8e-06 5.7e-06 ] [ 1e-07 1.4e-06 5.4e-06 ] [ 1.04e-05 -7.6e-06 6.3e-06 ] [ 1.4e-06 1.38e-05 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.666263685632e-14 -7.850665441919999e-15 -1.634220153216e-14 ] [ -2.4032649312e-15 -4.48609453824e-15 9.13240673856e-15 ] [ 1.6021766208e-16 2.24304726912e-15 8.65175375232e-15 ] [ 1.666263685632e-14 -1.217654231808e-14 1.009371271104e-14 ] [ 2.24304726912e-15 2.211003736704e-14 -1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }