{ "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" [ [ 1.036246 0.517989 0.7873767 ] [ 1.003677 0.2248323 2.613371 ] [ 0.7358478 1.683575 1.603856 ] [ 2.917767 0.7228741 0.0191295 ] [ 2.564023 2.34008 0.1827334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.036246e-10 5.17989e-11 7.873767e-11 ] [ 1.003677e-10 2.248323e-11 2.613371e-10 ] [ 7.358478000000001e-11 1.683575e-10 1.603856e-10 ] [ 2.917767e-10 7.228741e-11 1.91295e-12 ] [ 2.564023e-10 2.34008e-10 1.827334e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.9715622 -54.5297895 -41.1719328 ] [ 0.7160963 -21.0363875 35.1651295 ] [ -33.8816283 64.4759049 32.7889346 ] [ 33.2917243 -27.0187224 -20.303956 ] [ 11.8453699 38.1089945 -6.4781753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.918055707129301e-08 -8.736635387404532e-08 -6.596470816530869e-08 ] [ 1.147312750101383e-09 -3.370400823858936e-08 5.634074835230439e-08 ] [ -5.428435273689566e-08 1.033017874357042e-07 5.25336644370602e-08 ] [ 5.333922233957924e-08 -4.328876535316527e-08 -3.253052361295188e-08 ] [ 1.897837471850803e-08 6.105734003009579e-08 -1.037918101110403e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.596674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.305392506903922e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4858409 -0.8718077 0.7314435 ] [ 0.3965641 0.3595243 2.4135293 ] [ 1.0412453 2.6112948 2.1989645 ] [ 2.80439 0.6188198 -0.5221861 ] [ 2.5295204 2.7715193 0.3847155 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4858409e-10 -8.718077e-11 7.314435000000001e-11 ] [ 3.965641e-11 3.595243e-11 2.4135293e-10 ] [ 1.0412453e-10 2.6112948e-10 2.1989645e-10 ] [ 2.80439e-10 6.188198e-11 -5.221861e-11 ] [ 2.5295204e-10 2.7715193e-10 3.847155e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.24e-05 -1.38e-05 -2e-07 ] [ -4.41e-05 8.5e-06 -1.9e-06 ] [ 3.26e-05 1.28e-05 2.2e-06 ] [ -1.74e-05 2.54e-05 -3.5e-06 ] [ -1.34e-05 -3.3e-05 3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.793228872192001e-14 -2.211003736704e-14 -3.2043532416e-16 ] [ -7.065598897728e-14 1.36185012768e-14 -3.04413557952e-15 ] [ 5.223095783807999e-14 2.050786074624e-14 3.52478856576e-15 ] [ -2.787787320192e-14 4.069528616832e-14 -5.6076181728e-15 ] [ -2.146916671872e-14 -5.28718284864e-14 5.44740051072e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }