{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.274049e-10 5.913987e-11 3.7434138e-10 ] [ 1.4925908e-10 3.063525e-10 4.0439339e-10 ] [ 1.6883542e-10 4.9775716e-10 2.6660764e-10 ] [ 3.2020915e-10 2.4691677e-10 2.28195e-10 ] [ 3.7527129e-10 2.3694457e-10 4.825562900000001e-10 ] [ 3.9606247e-10 4.9373181e-10 2.0769114e-10 ] [ 5.404061900000001e-10 3.4175479e-10 3.3684736e-10 ] ] "source-value" [ [ 2.274049 0.5913987 3.7434138 ] [ 1.4925908 3.063525 4.0439339 ] [ 1.6883542 4.9775716 2.6660764 ] [ 3.2020915 2.4691677 2.28195 ] [ 3.7527129 2.3694457 4.8255629 ] [ 3.9606247 4.9373181 2.0769114 ] [ 5.4040619 3.4175479 3.3684736 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.224971792582016e-11 -6.79370952517824e-12 -1.303226485124928e-11 ] [ -4.060300079496192e-11 3.486624718652544e-11 2.433834461124864e-11 ] [ -1.180674393223315e-10 1.601327467190976e-10 2.753885262895872e-11 ] [ 2.541499127866003e-10 -1.54507825038793e-10 2.967583580578176e-11 ] [ 5.604141449532864e-11 3.30993668091072e-12 -4.720428890798208e-11 ] [ 3.062945133048192e-11 -4.96987176889056e-11 3.48128947050528e-11 ] [ -1.399006205692973e-10 1.269116144868096e-11 -5.612937399181056e-11 ] ] "source-value" [ [ -0.0263702 -0.0042403 -0.0081341 ] [ -0.0253424 0.0217618 0.0151908 ] [ -0.0736919 0.099947 0.0171884 ] [ 0.1586279 -0.0964362 0.0185222 ] [ 0.0349783 0.0020659 -0.0294626 ] [ 0.0191174 -0.0310195 0.0217285 ] [ -0.0873191 0.0079212 -0.0350332 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.73003508133226e-18 "source-value" -23.281048 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.087713542201906e-09 -3.736746118543805e-09 -9.461136531085883e-10 ] [ -3.802790562553437e-09 1.915371869028267e-09 2.386264074859029e-09 ] [ -7.184909786325734e-09 4.90684694715815e-09 3.024434414702333e-09 ] [ -3.938141321954985e-09 -1.305823501274881e-08 -7.066977090057213e-09 ] [ 1.187391839141343e-09 9.637709212111008e-10 4.425137806089719e-09 ] [ 5.008097780450904e-09 9.843288820202732e-09 -6.686540251448253e-09 ] [ 9.818065593443814e-09 -8.34297426307632e-10 4.863794698962972e-09 ] ] "source-value" [ [ -0.6788974 -2.3322935 -0.5905177 ] [ -2.3735152 1.1954811 1.4893889 ] [ -4.484468 3.062613 1.8877035 ] [ -2.4579945 -8.1503093 -4.4108602 ] [ 0.7411117 0.6015385 2.7619538 ] [ 3.1258088 6.1436977 -4.1734102 ] [ 6.1279546 -0.5207275 3.0357419 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.070172872219945e-18 "source-value" -19.162512 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] } "instance-id" 1 }