{ "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" [ [ 0.9949033 2.503274 2.364783 ] [ 2.081862 1.922853 4.128948 ] [ 3.003732 4.725891 2.729897 ] [ 1.175643 3.973335 4.072515 ] [ 3.741462 2.310355 2.499434 ] [ 3.610675 3.096222 4.683717 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.949033000000001e-11 2.503274000000001e-10 2.364783e-10 ] [ 2.081862e-10 1.922853e-10 4.128948e-10 ] [ 3.003732e-10 4.725891e-10 2.729897e-10 ] [ 1.175643e-10 3.973335e-10 4.072515e-10 ] [ 3.741462e-10 2.310355e-10 2.499434e-10 ] [ 3.610675e-10 3.096222e-10 4.683717e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3409648 -2.5713395 -9.2325145 ] [ -5.5260422 -16.1532223 7.8228378 ] [ 2.6169491 7.8111128 -3.7005122 ] [ -7.9656618 9.7219983 3.5883592 ] [ 6.9694585 -2.8229973 -8.2387646 ] [ 11.2462612 4.014448 9.7605943 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.176152217667575e-08 -4.119740031039562e-09 -1.4792118883097e-08 ] [ -8.853695618394197e-09 -2.588031511964521e-08 1.253356783147051e-08 ] [ 4.192814665843601e-09 1.251478231059163e-08 -5.928874131825174e-09 ] [ -1.276239710515965e-08 1.557635838371734e-08 5.749185217272592e-09 ] [ 1.116630346833584e-08 -4.522940274641524e-09 -1.319995602639466e-08 ] [ 1.801849676605015e-08 6.431854731017318e-09 1.563819599257374e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6662383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.476137911341537e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2084414 2.1197729 2.5508423 ] [ 1.9782155 1.5769725 4.7216655 ] [ 3.3091925 4.63674 3.2555747 ] [ 0.9191675 4.3634371 3.3854897 ] [ 3.3404484 2.8178996 1.6727972 ] [ 3.852812 3.0171079 4.8929246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2084414e-10 2.1197729e-10 2.5508423e-10 ] [ 1.9782155e-10 1.5769725e-10 4.721665500000001e-10 ] [ 3.3091925e-10 4.63674e-10 3.2555747e-10 ] [ 9.191675e-11 4.3634371e-10 3.3854897e-10 ] [ 3.3404484e-10 2.8178996e-10 1.6727972e-10 ] [ 3.852812e-10 3.0171079e-10 4.8929246e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.35e-05 1.26e-05 1.05e-05 ] [ -2.39e-05 -1.7e-05 3.27e-05 ] [ -2e-06 -1.13e-05 -9e-06 ] [ -1.07e-05 -6e-07 -2.87e-05 ] [ -1.76e-05 3.16e-05 -2.9e-06 ] [ 2.06e-05 -1.53e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.36729167968e-14 2.018742542208e-14 1.68228545184e-14 ] [ -3.829202123712e-14 -2.72370025536e-14 5.239117550016001e-14 ] [ -3.2043532416e-15 -1.810459581504e-14 -1.44195895872e-14 ] [ -1.714328984256e-14 -9.6130597248e-16 -4.598246901696e-14 ] [ -2.819830852608e-14 5.062878121728e-14 -4.646312200320001e-15 ] [ 3.300483838848e-14 -2.451330229824e-14 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.082112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.416420723868713e-18 } }