{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8646365 -4.5684305 -1.8440729 ] [ -5.7612207 -0.6348532 4.8637794 ] [ -7.2854763 3.0819937 -4.783536 ] [ -0.3500962 7.3415396 3.6046299 ] [ 2.9551525 -4.7750959 -8.3846673 ] [ 9.172436 -5.8899223 8.8525272 ] [ 7.1338413 5.4447687 -2.3086604 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.396183489790339e-09 -7.319432540849655e-09 -2.954530487430856e-09 ] [ -9.23049311280901e-09 -1.017146954680067e-09 7.792633643408652e-09 ] [ -1.167261979925249e-08 4.937898251592888e-09 -7.66406954395515e-09 ] [ -5.60915946670921e-10 1.176244310779738e-08 5.775253752416641e-09 ] [ 4.734676246398672e-09 -7.650547013057934e-09 -1.343371792124626e-08 ] [ 1.469586251498427e-08 -9.436695807388564e-09 1.418331211483609e-08 ] [ 1.142967374735748e-08 8.72348111680361e-09 -3.698881718246776e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.704831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.996844292421508e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0395776 0.9253522 2.8903629 ] [ 1.6389371 2.6285984 4.7093042 ] [ 2.1630216 3.4860649 2.2707715 ] [ 3.3186486 4.4898338 4.4186394 ] [ 3.9668973 1.7339223 1.4755314 ] [ 4.1255643 1.9997793 4.0947915 ] [ 4.7574065 3.9368911 2.4200561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0395776e-10 9.253522e-11 2.8903629e-10 ] [ 1.6389371e-10 2.6285984e-10 4.709304200000001e-10 ] [ 2.1630216e-10 3.4860649e-10 2.2707715e-10 ] [ 3.3186486e-10 4.4898338e-10 4.4186394e-10 ] [ 3.9668973e-10 1.7339223e-10 1.4755314e-10 ] [ 4.1255643e-10 1.9997793e-10 4.094791500000001e-10 ] [ 4.757406500000001e-10 3.9368911e-10 2.4200561e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.5e-06 2.21e-05 1e-05 ] [ -6.6e-06 1e-06 8.2e-06 ] [ -6.6e-06 -1.14e-05 -2.09e-05 ] [ -4.9e-06 -1.6e-06 4.5e-06 ] [ -2.3e-06 8.3e-06 1.04e-05 ] [ 6.9e-06 -2.06e-05 -1.08e-05 ] [ 5e-06 2.1e-06 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.36185012768e-14 3.540810331968e-14 1.6021766208e-14 ] [ -1.057436569728e-14 1.6021766208e-15 1.313784829056e-14 ] [ -1.057436569728e-14 -1.826481347712e-14 -3.348549137472e-14 ] [ -7.850665441919999e-15 -2.56348259328e-15 7.2097947936e-15 ] [ -3.68500622784e-15 1.329806595264e-14 1.666263685632e-14 ] [ 1.105501868352e-14 -3.300483838848e-14 -1.730350750464e-14 ] [ 8.010883104e-15 3.36457090368e-15 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }