{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2764689 -2.5064212 2.3310774 ] [ 0.0 0.0 0.0 ] [ 5.7450465 -2.4446568 -3.8447443 ] [ -0.1177247 -1.4789995 -1.7804456 ] [ -6.2415696 3.4150409 2.7797225 ] [ 0.3476846 -1.5719336 7.2715077 ] [ 2.543032 4.5869702 -6.7571177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.647305249558293e-09 -4.015729448517481e-09 3.73479771155525e-09 ] [ 0.0 0.0 0.0 ] [ 9.204579187708867e-09 -3.916771970839742e-09 -6.159959430414062e-09 ] [ -1.886157620306938e-10 -2.369618421074889e-09 -2.852588314926229e-09 ] [ -1.000009689021601e-08 5.471498689055792e-09 4.453606401811728e-09 ] [ 5.570521375321997e-10 -2.518515263369979e-09 1.165023963490718e-08 ] [ 4.074386416346266e-09 7.3491364147463e-09 -1.082609600293387e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6353084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.223311261107786e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4746241 2.0214994 3.024018 ] [ 0.2819737 0.3697582 2.2217293 ] [ 3.4618982 2.9592984 3.1784629 ] [ 6.1143579 -0.3270279 3.3402866 ] [ 5.0755663 1.5682102 3.7597947 ] [ 4.4899618 6.2732939 0.7164714 ] [ 3.9024119 4.9739796 2.3943958 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4746241e-10 2.0214994e-10 3.024018e-10 ] [ 2.819737e-11 3.697582e-11 2.2217293e-10 ] [ 3.4618982e-10 2.9592984e-10 3.1784629e-10 ] [ 6.1143579e-10 -3.270279e-11 3.3402866e-10 ] [ 5.0755663e-10 1.5682102e-10 3.7597947e-10 ] [ 4.4899618e-10 6.2732939e-10 7.164714e-11 ] [ 3.9024119e-10 4.9739796e-10 2.3943958e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2628495 -0.0290966 -0.000386 ] [ -0.2066548 -0.1404385 -0.0440279 ] [ 0.5739902 0.108248 0.05192 ] [ -0.0156225 0.1510848 0.1036332 ] [ -0.0631076 -0.0320668 -0.141532 ] [ -0.0672284 -0.079053 0.2237005 ] [ 0.0414725 0.0213221 -0.1933079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.211313236889696e-10 -4.661789226476928e-11 -6.184401756288e-13 ] [ -3.310974891360999e-10 -2.250072813602208e-10 -7.054047204292033e-11 ] [ 9.196336790083161e-10 1.734324148483584e-10 8.3185010151936e-11 ] [ -2.5030004258448e-11 2.420645343182438e-10 1.660386901786905e-10 ] [ -1.011095213147981e-10 -5.137667726386944e-11 -2.267592614950656e-10 ] [ -1.077117707337907e-10 -1.266568684041024e-10 3.584077111612704e-10 ] [ 6.644626990612801e-11 3.416177012635968e-11 -3.097133979959444e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.689554 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.513743660957913e-18 } }