{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5662684 -7.7145607 1.6579631 ] [ -0.7403353 0.9479822 -2.938033 ] [ -2.75405 0.9011887 4.4196701 ] [ 4.635216 7.3001474 -1.4938192 ] [ 0.5336859 -1.1303475 1.0253689 ] [ 0.1695093 0.8551682 -1.3373087 ] [ 0.7222425 -1.1595784 -1.3338413 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.111615233177822e-09 -1.236008879328248e-08 2.656349716969093e-09 ] [ -1.186147909212954e-09 1.51883491777455e-09 -4.707247783738886e-09 ] [ -4.412474522514239e-09 1.443863466069145e-09 7.081092105868799e-09 ] [ 7.426434707558093e-09 1.169612549267391e-08 -2.393362197942159e-09 ] [ 8.550590718306069e-10 -1.811016337879728e-09 1.642822079275413e-09 ] [ 2.715838374681734e-10 1.370130496891618e-09 -2.142604733932441e-09 ] [ 1.157160048048144e-09 -1.857849402464671e-09 -2.137049346717479e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.084002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057594183570045e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9179551 0.38451 2.3396689 ] [ 1.4194462 2.3714207 3.0327159 ] [ 1.4382476 2.8437749 5.4897597 ] [ 3.6956046 2.7650175 1.8760521 ] [ 2.764823 0.8108943 4.8829736 ] [ 4.9329329 1.3298138 3.5777225 ] [ 3.6103388 3.3992557 4.3788823 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9179551e-10 3.8451e-11 2.3396689e-10 ] [ 1.4194462e-10 2.3714207e-10 3.0327159e-10 ] [ 1.4382476e-10 2.8437749e-10 5.489759699999999e-10 ] [ 3.6956046e-10 2.7650175e-10 1.8760521e-10 ] [ 2.764823e-10 8.108943e-11 4.8829736e-10 ] [ 4.9329329e-10 1.3298138e-10 3.5777225e-10 ] [ 3.6103388e-10 3.3992557e-10 4.3788823e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.34e-05 -3.73e-05 -2.88e-05 ] [ -3.9e-06 -1.13e-05 -9.2e-06 ] [ 3.76e-05 -2.06e-05 2.09e-05 ] [ -7.1e-06 2.69e-05 -2.42e-05 ] [ -5.83e-05 5.27e-05 1.94e-05 ] [ 2.49e-05 -5e-06 8.9e-06 ] [ -6.7e-06 -5.4e-06 1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.146916671872e-14 -5.976118795584e-14 -4.614268667904e-14 ] [ -6.24848882112e-15 -1.810459581504e-14 -1.474002491136e-14 ] [ 6.024184094208e-14 -3.300483838848e-14 3.348549137472e-14 ] [ -1.137545400768e-14 4.309855109952001e-14 -3.877267422336e-14 ] [ -9.340689699264e-14 8.443470791616e-14 3.108222644352e-14 ] [ 3.989419785791999e-14 -8.010883104e-15 1.425937192512e-14 ] [ -1.073458335936e-14 -8.65175375232e-15 2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }