{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.997832 -0.3797223 -1.358885 ] [ -0.7806758 1.0839684 0.2336696 ] [ 0.5333984 0.9275335 0.1886526 ] [ 1.4262661 0.0627741 3.6465222 ] [ -0.2267809 -0.561789 1.5228677 ] [ 1.6185344 0.6270499 -3.4659013 ] [ 0.4270899 -1.7598145 -0.7669258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.803056343486105e-09 -6.083821914564038e-10 -2.177173777355808e-09 ] [ -1.250780515184337e-09 1.736708828165983e-09 3.743799701116877e-10 ] [ 8.545984460521268e-10 1.486072488708797e-09 3.022547851731341e-10 ] [ 2.285130200459595e-09 1.005751954117613e-10 5.842372616068182e-09 ] [ -3.633430560239827e-10 -9.000852016226112e-10 2.439903025511468e-09 ] [ 2.593177975640556e-09 1.004644689854978e-09 -5.552986032860328e-09 ] [ 6.8427345275981e-10 -2.819533648844842e-09 -1.228750586648337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.20793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.839843920876295e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9816091 2.9852095 1.5559835 ] [ 2.4358204 2.6246058 3.9181818 ] [ 3.5702907 1.266363 2.2177642 ] [ 4.8677014 2.793892 3.6343352 ] [ 3.1579007 4.8710992 0.8343911 ] [ 4.7147182 3.1754628 1.2369797 ] [ 3.4397267 4.7019487 3.1480235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9816091e-10 2.9852095e-10 1.5559835e-10 ] [ 2.4358204e-10 2.6246058e-10 3.9181818e-10 ] [ 3.570290700000001e-10 1.266363e-10 2.2177642e-10 ] [ 4.8677014e-10 2.793892e-10 3.6343352e-10 ] [ 3.1579007e-10 4.8710992e-10 8.343911000000001e-11 ] [ 4.714718200000001e-10 3.1754628e-10 1.2369797e-10 ] [ 3.4397267e-10 4.7019487e-10 3.1480235e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.53e-05 6e-06 3.85e-05 ] [ 9.4e-06 2.67e-05 -3.07e-05 ] [ 2.39e-05 4.98e-05 1.94e-05 ] [ -3.26e-05 -2.43e-05 -3.88e-05 ] [ 4.4e-06 -1.03e-05 3e-07 ] [ -1.04e-05 -4.2e-06 1.33e-05 ] [ -2e-05 -4.37e-05 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.053506850624e-14 9.6130597248e-15 6.16837999008e-14 ] [ 1.506046023552e-14 4.277811577536e-14 -4.918682225856e-14 ] [ 3.829202123712e-14 7.978839571583999e-14 3.108222644352e-14 ] [ -5.223095783807999e-14 -3.893289188544e-14 -6.216445288704e-14 ] [ 7.04957713152e-15 -1.650241919424e-14 4.8065298624e-16 ] [ -1.666263685632e-14 -6.72914180736e-15 2.130894905664e-14 ] [ -3.2043532416e-14 -7.001511832895999e-14 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }