{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1929981 -3.4067883 -1.1606136 ] [ 0.3123056 -5.4211561 7.0324297 ] [ -6.4965059 8.5463959 -11.3207948 ] [ -0.1896931 1.0788031 1.7334849 ] [ 4.8923595 -1.4979864 2.154023 ] [ -1.1578875 -1.2926162 0.6114346 ] [ 2.4464233 1.9933479 0.9500361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.092170462263954e-10 -5.458276611244582e-09 -1.859507991022622e-09 ] [ 5.003687349873504e-10 -8.685649632686566e-09 1.126719454558763e-08 ] [ -1.040854995562314e-08 1.36928358158934e-08 -1.81379129068687e-08 ] [ -3.039218524510253e-10 1.728433119506765e-09 2.777349002171826e-09 ] [ 7.838424076027924e-09 -2.400038808129777e-09 3.451125319698582e-09 ] [ -1.855140297300675e-09 -2.070999472369871e-09 9.796262293391365e-10 ] [ 3.919602248133172e-09 3.193695428812968e-09 1.522125640876487e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.871083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.703045497287462e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4767786 1.7008219 1.9567726 ] [ 2.7741799 2.6123614 4.2440123 ] [ 2.3185394 4.1602597 2.2341338 ] [ 4.6315601 2.8714223 2.3698304 ] [ 5.1861877 2.7913438 4.792632 ] [ 4.4665439 5.2361056 1.618157 ] [ 4.0339664 4.8507074 4.0296178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4767786e-10 1.7008219e-10 1.9567726e-10 ] [ 2.7741799e-10 2.6123614e-10 4.2440123e-10 ] [ 2.3185394e-10 4.1602597e-10 2.2341338e-10 ] [ 4.6315601e-10 2.8714223e-10 2.3698304e-10 ] [ 5.1861877e-10 2.7913438e-10 4.792632e-10 ] [ 4.4665439e-10 5.2361056e-10 1.618157e-10 ] [ 4.0339664e-10 4.8507074e-10 4.0296178e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.5e-06 1.4e-05 3.39e-05 ] [ -1.29e-05 -3.6e-06 -6e-06 ] [ -1.16e-05 -3.07e-05 -3.49e-05 ] [ -7.5e-06 -1.19e-05 -8.5e-06 ] [ 5.1e-06 -2.49e-05 2.23e-05 ] [ -2.6e-06 5.38e-05 -1.41e-05 ] [ 2.39e-05 3.3e-06 7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.811971486999999e-15 2.243047287599999e-14 5.431378789259999e-14 ] [ -2.06680785786e-14 -5.767835882399999e-15 -9.613059803999999e-15 ] [ -1.85852489544e-14 -4.91868226638e-14 -5.59159645266e-14 ] [ -1.2016324755e-14 -1.90659019446e-14 -1.3618501389e-14 ] [ 8.1711008334e-15 -3.989419818659999e-14 3.572853893819999e-14 ] [ -4.165659248399999e-15 8.619710290919999e-14 -2.25906905394e-14 ] [ 3.82920215526e-14 5.2871828922e-15 1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.747143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.484276437085666e-18 } }